ase

View on PyPIReverse Dependencies (412)

3.23.0 ase-3.23.0-py3-none-any.whl

Wheel Details

Project: ase
Version: 3.23.0
Filename: ase-3.23.0-py3-none-any.whl
Download: [link]
Size: 2877073
MD5: 88c13c424e1be27378fa7d7429e6398a
SHA256: 52060410e720b6c701ea1ebecfdeb5ec6f9c1c63edc7cee68c15bd66d226dd43
Uploaded: 2024-05-31 20:17:29 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: ase
Version: 3.23.0
Summary: Atomic Simulation Environment
Maintainer-Email: ASE Community <ase-users[at]listserv.fysik.dtu.dk>
Project-Url: homepage, https://wiki.fysik.dtu.dk/ase/
License: LGPLv2.1+
Classifier: Development Status :: 6 - Mature
Classifier: License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.8
Requires-Dist: numpy (>=1.18.5)
Requires-Dist: scipy (>=1.6.0)
Requires-Dist: matplotlib (>=3.3.4)
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: pillow; extra == "docs"
Requires-Dist: spglib (>=1.9); extra == "spglib"
Requires-Dist: pytest (>=7.0.0); extra == "test"
Requires-Dist: pytest-xdist (>=2.1.0); extra == "test"
Provides-Extra: docs
Provides-Extra: spglib
Provides-Extra: test
Description-Content-Type: text/x-rst
License-File: LICENSE
License-File: COPYING
License-File: COPYING.LESSER
[Description omitted; length: 2399 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.43.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
ase/__init__.py sha256=XcrPDFBrrJbYq0zdQoi5PuSeIjerS1VJpLus1HCEHG4 400
ase/__main__.py sha256=t10eNLWpUm5PI5onYMMLOgIFktFyRRaPK7Y7HeysBmM 38
ase/atom.py sha256=bOy46l20BzEaU13p9-fRBOyh6WiSg5EDy5FLFpe_1To 6651
ase/atoms.py sha256=ZUEJ6A_K3rU4wmoAOEMuMRQ_95o8qU-kK2sL7Z3i7Bc 72697
ase/autoneb.py sha256=2Tw55zaB1nJC2TYMiZGM8xtmC8EnKUSYIOldMNC0EQA 431
ase/cell.py sha256=XYPGv4cQMaFOgJSesudPml0CdRrBFg-bAGRHY0TB3sI 12711
ase/codes.py sha256=rvXAx4DIZgCYWqR84qhTsGA00LuUz1Sl3WWoFHrXhDg 8176
ase/config.py sha256=3ySTV7Py9hirnZFm2Y6h0pF4-_W__16fKPtxI4tWyuA 4435
ase/constraints.py sha256=f4D74Am5Xrr1bLvUKtvz-q7ZCqq8nITrx_9aBUJLQdQ 90481
ase/dependencies.py sha256=9w5bc3MTaAPEk5ljwmxdu5sKaoOunGqYWRhn6RCx_KQ 1032
ase/dimer.py sha256=X1oSpknGFHp5mVfRtJpJlReWzWcifvzyBbdN8OC-UC8 1221
ase/dyneb.py sha256=LpVlG87Y0V8CL7t26gRrCdGamps2ctMzGQCtU3sNr9c 416
ase/eos.py sha256=8v2YCA63y83-d0uZeHeaLO9cvBVQVZtlAtVovU3cU2Y 13791
ase/filters.py sha256=LWkZFiMJCmZbXbVBeaOfh0nJgkdP1KJbPMF0HAeiyYY 32765
ase/formula.py sha256=HsYCTfkd67jrFrY66O27QbLTBlQIfjukm9zT6pRbhR0 16769
ase/neb.py sha256=fp7PfkszC-9Lj6J1-VV5DrF0PsXB4ViVMT-5KddhsCg 1466
ase/neighborlist.py sha256=lReITp1Ii4IK9FKYjip8k9PD7DH-tx0nXDqN-8NdH48 45058
ase/nomad.py sha256=tEbYaolJYNxpmr4OMGoUOHw1gf-FT39E0F7IAJbdxZ0 4356
ase/outputs.py sha256=gRUzKLVsngjz5igupyVYJoxMQWm6jk4DqPJBjRMaiTk 5666
ase/parallel.py sha256=sDyQRtExqauUJwIQSKnIjat39oQ5QV8daM-CdhlMwvI 10352
ase/phasediagram.py sha256=9yF3dwQ6vFuKglRw4T21iNl-MjEYrEeAOceoE8uRzo0 27142
ase/phonons.py sha256=tQIQtC5oF3Z7RN8xWEZCz8qApokzsGK2ga6EAfTME5U 31500
ase/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/quaternions.py sha256=0pm_QZKMQEBdZj0olvPWvg4lvucdy14XXdJAmUR00vs 7709
ase/stress.py sha256=ZXXcCp4S4PZ2Q6Nxe2dWiC4GTQyuu-1C9K0yySmzCLg 3252
ase/symbols.py sha256=xWdmKByeYEBAq9OtqP6vuHV44jlpIhLxLtwE6_BDgu0 6250
ase/thermochemistry.py sha256=CfcO6ZOAAyYs0Ws9RhXvRLlvAEiQlWZ07lsAw1cKbKM 31262
ase/units.py sha256=BGCoE_jwatdbXV1tKFNeEpxMwyUrEau-v97n_d74A-U 7952
ase/build/__init__.py sha256=Sex5VBhlmvKJNXCcu1nKRmU23JrmHaRGhf10H1ebxnM 1776
ase/build/attach.py sha256=0sETCKoHFJqXE_-dl0vdKkDEF66Y4HZJFxuArJfPEY0 3583
ase/build/bulk.py sha256=aaFFxLPNHSSTnhPZRLld29yoptzwXzRQY3e84Qg8xJs 13302
ase/build/connected.py sha256=woxVPcBeiLeMmvgk31YVv9xU4Gc_HpQnVPP-j2JhUdA 2600
ase/build/general_surface.py sha256=6FlsydkdijvJ7pSKsTC_Xt304gqfROEo9HKbTYOACAo 3672
ase/build/molecule.py sha256=HXJlOxkmeYTJifoQeqEh3KelgCyTWwxbWtkaArLzXLI 9932
ase/build/niggli.py sha256=29mtBP7JdRPDmdAJ0HUyKHLXADDNsD28mWngRE-BLSs 5088
ase/build/ribbon.py sha256=IeumHZlVAG3yHQAZchzqaJ_EX5c0MKTnQJxD9GDZu6Q 5813
ase/build/root.py sha256=nspgqExKG6Sybrs1blOVycyEO7FmmMf9wUwGWsAOP9c 7376
ase/build/rotate.py sha256=2jyx7tu8q04xxAY2VTVPIIwLIzX5Llvg7zAze7QA_Xs 2991
ase/build/supercells.py sha256=fT_aClroqeDvV1BFg8vOKX_qfQIFX2u8FjWaH1aeKN0 8827
ase/build/surface.py sha256=DrMedYZ8002Th2qtsqSDG2COqdfl_geDwIGcBm4K1VU 19277
ase/build/surfaces_with_termination.py sha256=Px9s_kL10TLVczMIeDBrSRBMGzD4iQHPzyEF_KuoSpI 6434
ase/build/tools.py sha256=XFOZ3eZapCTYhyooTQe9eTeaibkjZs_Qjaed-y6qbk8 19986
ase/build/tube.py sha256=GdEkMlmjVx0Vxf0T24eswy3q1Xg_y2dFuAi8Wh0aBuM 4681
ase/calculators/__init__.py sha256=Ls7AaRwW3wr8sc3eR7TccuvsbZF4z2Gk7H_HaqpVkAU 64
ase/calculators/abc.py sha256=P9DNIPjhQpmn8_u4wH2GKn6bNAS0-vqAAt4z59k4dCM 3506
ase/calculators/abinit.py sha256=JGEn24i1TcllcxwGRyAo6hPTqNX0lWvFOOb6Vdy9uv8 4166
ase/calculators/acemolecule.py sha256=JSGRrTspT41wDkC7y7X3_g6uX91WW719qMMSlNYESg8 11908
ase/calculators/acn.py sha256=RSmno0SpZuLgL9jawc0gJB23ub2zxDdMCTVed5dqdM0 7914
ase/calculators/aims.py sha256=csHPeQe5do6HTuDOfnkBUE5-hgI207QXeZgnjY6qLfs 9226
ase/calculators/amber.py sha256=j_Yf8is_wc0QH8xWboBwaQmBuEfm9zc2MN3EG5O0nq0 14526
ase/calculators/bond_polarizability.py sha256=kwx7WMxQaAFGEi-8HI2s2NZpbc6cN53AUm1mM1qxy8g 4756
ase/calculators/calculator.py sha256=wkGujrk4hWIJhf-un8g__bMlrtCzMgfeykE39aQBwmE 38431
ase/calculators/castep.py sha256=vAjJ7cYRwbC_6HNDzTHJANt2e_rs57OnACSAbtrFBmM 76422
ase/calculators/checkpoint.py sha256=EPO-U1w-c0U52pklLIc3uNY-0uTcdcudnN_tr437cxo 10453
ase/calculators/combine_mm.py sha256=Dzy_AfMLEbvdbBBJjjRYLznrlVRobclbgWIuVeYU0J4 10586
ase/calculators/counterions.py sha256=Jd1T1YSz8oFqzzp2in8rKD-YXvvYqNNWNEYhbwYTpCQ 2777
ase/calculators/cp2k.py sha256=KLovcv_X2yDx3-ylCq1gNAMIBmumQRJqEqKoWTprY3M 26998
ase/calculators/crystal.py sha256=dgRjT3ZqwMbk6H9SmhQER4CXB6ZEluz3Qyr0suc2-Zw 16969
ase/calculators/demonnano.py sha256=kCcmr1Mue_V5ayGMUjDqg6G48j2wS0Zy6_vKsTchwt0 11640
ase/calculators/dftb.py sha256=wEt6_ov1DRlX-fWSS7LpwX9sljXdOrIh3F4diS4Ikog 23151
ase/calculators/dftd3.py sha256=nqA0iW7rglFy1iAVESewjO3vmq9Q4JTWI4DEzR_8UNk 21511
ase/calculators/dmol.py sha256=0DL3yiiwZZSV7wCgq3RJ7wZeNe8oY0nNYVpfZR_1CpU 22322
ase/calculators/eam.py sha256=_BBfOui-OiHDMHgkl6hMCk11QuFr39HxBQVyizBirto 37253
ase/calculators/elk.py sha256=ebkZPC-SgGncxtYj0WIsqm62C-2RpbHZVjbscmO8OhM 1648
ase/calculators/emt.py sha256=S1xPcE8mCf-5F1IVjAi_N90T5O0BQhFaIxGJtXo3GJY 13482
ase/calculators/espresso.py sha256=5Ahq4JpxEQQCzK8fjFVNXb5GMjNuJbx8tudA4wdnt8I 5885
ase/calculators/excitation_list.py sha256=pdUUK7NvlsXtNlnuppvp2lmr1g1mvFzbRx-3aZGxJ_I 4548
ase/calculators/ff.py sha256=_E0lJSmceKP7Ql16Zc_2axfAqWSuKqiY_UPRvFy9150 6840
ase/calculators/fleur.py sha256=HjYm9SgR1qdHF2F5iy5pb1hmNNa6F0KDvUd-NET_QY4 219
ase/calculators/gamess_us.py sha256=a3uv8apCi769FZrhTh1HJ1854sQBHWnjRw7vzj7wSu4 4278
ase/calculators/gaussian.py sha256=mLxHxVAFie1OQn_4Z0ZIRJUln4mygLsOhpbfIGWEflI 3755
ase/calculators/genericfileio.py sha256=axo8rBDHxaDKiqbNvUGUYNZs8Yjv-jW3wmSE9eSq5cI 9885
ase/calculators/gromacs.py sha256=UqBsDYJDPTN8wQcSTeHuwFmAsojl_rXIUOYDT6CvklU 14054
ase/calculators/gulp.py sha256=eoo3P_q0Tmmh4unm4BEZ6csoIJ-uJz9SsTSm_SMUAcc 14322
ase/calculators/h2morse.py sha256=XwqWKPLukf_FmNZ5fsOHorwoBWkiVg_aAYgFfCcycuI 6851
ase/calculators/harmonic.py sha256=Ff9PTmylZYIIIno3mieuIfGgMqYx-coR9pXmn3hp-r4 18750
ase/calculators/idealgas.py sha256=1-TeT3vL9acIU_kI-dD2wuNpnWmSWm1n6ncA-s4MtvQ 1098
ase/calculators/lammpslib.py sha256=7DdmtGjxWHXcFfOgqrVEH12NtKUP0jPqWXj_g5m7KBI 28394
ase/calculators/lammpsrun.py sha256=dmHc2EkJHI3ana5Pbux0jbWzOTKOCXHwjtKoETpFYTA 21358
ase/calculators/lj.py sha256=Y3rEqFTkGaiLqpW-veDvd32n-OLR9hrEP7pjshu0pKQ 9448
ase/calculators/loggingcalc.py sha256=qMWBEbiJ4qM-4Mn0DslYIEuppclrsRuOyRPmUr2cPf4 7140
ase/calculators/mixing.py sha256=9OW3m-W8Amc8z2S8LsN2EIAcK-nAmhoWM5bpRIiJFCg 6340
ase/calculators/mopac.py sha256=_CJFTuWYhxOFRSMTsRLB5cpQ0OXv-oO3vseF3PNbEfY 12059
ase/calculators/morse.py sha256=A-67F3rCl_i5k31PiD9bnsq4e654XbSdi0MicceXq98 2728
ase/calculators/names.py sha256=-Ti6RozLDbv8cSBIMprlCh9u3Jt0qetw2FqvWM5LI9s 1315
ase/calculators/nwchem.py sha256=esv_WYKIfoDfkzTkOEZ21BQKCfUW00KRMmrUclxEflo 9316
ase/calculators/octopus.py sha256=618K6hpUq2DEBVkkAMp9UfL4tMq-mGQrbX6ywt0OiH8 3701
ase/calculators/onetep.py sha256=apiaD8DieYfOgLc5ftuIXLjI59NPbjROHcuh_wgg7tk 5230
ase/calculators/orca.py sha256=RAyaPU2pbjNXblawm44Pgm4x891SGp9qI88Ni7tvRps 2860
ase/calculators/plumed.py sha256=xKVEdkDPstHqyAzZqCqe63spIbbxa8yHQDNtH20jv-I 9222
ase/calculators/polarizability.py sha256=ufBAIWVsqk4vpCWMQv6KXOJ-6ikvjErcT6czksztp2E 391
ase/calculators/psi4.py sha256=SOCyo5PdZUsJbZ0jChrU_0czUfcoGiGU2-1oTMD-oxw 8241
ase/calculators/qchem.py sha256=FyiIGhYXhdIEP3lld-rVvWiGoVhi23VkpGOKAT1zrSw 7244
ase/calculators/qmmm.py sha256=o3-DKuNSKDMuJM8uPHwJPjmuLq8vsFOAUL8PiT5AWbs 32172
ase/calculators/singlepoint.py sha256=5KxEgB-ZnnzObBaOCIckbCyTOEWlhJMdsYoPKyr4h2g 8882
ase/calculators/socketio.py sha256=xqU37brUVd0T8U1ss69B1FMrxY_92dheebjCGADDij4 26344
ase/calculators/subprocesscalculator.py sha256=bjVWGGtrMsaEym1qmmm7juWIJTqwgZokyQRdYto22Co 10657
ase/calculators/test.py sha256=1jVz4M1hZEwwGcgBrb03bPeLR9IXzhRtQRHz0YW0eRc 7429
ase/calculators/tip3p.py sha256=zD9EtQEanL6Ku2maq80uLD1tnkLJEdMjoHgGAdq5zb8 5434
ase/calculators/tip4p.py sha256=MtQQ4WhN4WdVCoANwzre225B1cYj0uv5TgareFrSz0Q 7338
ase/calculators/vdwcorrection.py sha256=QlM8ig3hu8DxTK8Vd9ddX0S4EMFsZ8GnWvoh8rTB8Wk 15002
ase/calculators/demon/__init__.py sha256=_DptWucGO-9Wz24_WYPQohWo5ATzZYtEtias-YyqQlE 67
ase/calculators/demon/demon.py sha256=rPd3HtVw2DXD8jlHQ4hbsn6bAF9qF0ybeZcY2nv-oHo 24420
ase/calculators/demon/demon_io.py sha256=uLqavxOaNOBKcVJ1yUNh4gZfaP-XDzHJpaoBoAxFICM 1082
ase/calculators/exciting/__init__.py sha256=UdXi14Hw6V8jyohC_nYbAUk5OJ3oh4CUO6LaH45t1xI 97
ase/calculators/exciting/exciting.py sha256=C9g-39FEMRTzE9bjqZmUa76F8RbOvYIAUg6k-6aYoqw 10999
ase/calculators/exciting/runner.py sha256=TTIP1vK0x5DB54ZRafSvvFekbqa4bD5_EYeikMguzks 2717
ase/calculators/kim/__init__.py sha256=i8pKqMcq5IaqVQluX0qwgSll3SOy7WJ637yLAOvDA_w 143
ase/calculators/kim/calculators.py sha256=dIOFf2HKocdo8mPn-NvjpbvytdB3xG-XcaLZkug-G50 8853
ase/calculators/kim/exceptions.py sha256=__UgUI_i3bszVdyPR8TFupTg-MX4qVz4V3GyhCEWbG4 1141
ase/calculators/kim/kim.py sha256=74losukChDu4hHyw5gSTu42oba8miCi6fkWx8Q8TZDI 8013
ase/calculators/kim/kimmodel.py sha256=6Ab8tEbN6Pf8XmakrcA9KSG3rSXXN_E5-7qckvF9e9M 15467
ase/calculators/kim/kimpy_wrappers.py sha256=4DIhRXfx3UUR1mdHGZ3KIVirwEGRx2oVQ36xNg_o07c 27125
ase/calculators/kim/neighborlist.py sha256=T1aDD9vVbTTTXjradlodAwfduH8Rwl8DRy5cQKA2awU 16821
ase/calculators/lammps/__init__.py sha256=mP8EtVXNsKmhqZbZt_K7n19PCKx-COQdW09RRudHxes 270
ase/calculators/lammps/coordinatetransform.py sha256=1NXPD5b4hSdkzLDg12vJ_SXOrbin3SATHzM5dBAL2r8 10387
ase/calculators/lammps/inputwriter.py sha256=krE6FOD7f-ZGsRcrYpRVfeVLXz09lxlK4QQrUVbKdNI 8315
ase/calculators/lammps/unitconvert.py sha256=FI4FcyF8NxIhjL3J1XNY9xuzV94gLwGBrGA6RT8kbJY 4892
ase/calculators/lammps/unitconvert_constants.py sha256=rMXAtT8lCT0BbCUueT03NSE3uIaG8LAws0fODSyx_PQ 6107
ase/calculators/openmx/__init__.py sha256=wS8WRJ2kfkmFxyLuboroR7CMowOs_kTYMhm3rB0H3Bg 97
ase/calculators/openmx/default_settings.py sha256=hIRNLnhC6Sf14uWDHIyuXOXtGNQ3WEl4XLUKhKU5VuY 11234
ase/calculators/openmx/dos.py sha256=DjG0cQwUINSz6UzkcjMY3mY9QOsWFvTFGdyup-KGOuk 23898
ase/calculators/openmx/openmx.py sha256=_SPERzBmqcbsJU1JQ_WUj7-ovZFIUQHa3V0kXAqx9ac 27544
ase/calculators/openmx/parameters.py sha256=iPhJ3L0EGVBf50ECSpH6zFrHXQVRBSn-Yl8nORCwohA 9252
ase/calculators/openmx/reader.py sha256=u4WbgglqrzY8oQTu4XxWJd2AnCzxd0sk1C3HrP-6GwU 32720
ase/calculators/openmx/writer.py sha256=Xd-ZhV4KDUQ7E1C6d9eRpmR21-zdNrorTGRcw7ZDbpQ 26195
ase/calculators/siesta/__init__.py sha256=FO-TAvxKnTO1bP5wpbyDdix6VW09JWVrxPyvB6LUZ_Y 71
ase/calculators/siesta/import_ion_xml.py sha256=p3t_-YND6f4DD5wUQPBDkmHeeAPFCgXcUSI0rJYknq8 6385
ase/calculators/siesta/parameters.py sha256=cOdaq4vh9_IxbKnkEo4dWPz1NtyAWXEKttjQycFJ4js 3242
ase/calculators/siesta/siesta.py sha256=1Sq6hg6PAKDCqQXn5afUI9bh0aYSX3EC8-Grjdvo6DQ 27777
ase/calculators/siesta/siesta_lrtddft.py sha256=-AagP-vbyPdEzP5D_bu-3P9aVzrpQ4ULLW16-q6wiIE 6484
ase/calculators/turbomole/__init__.py sha256=d_lpRGMzleFFP6kxWEhEgp6uniehZpm6H2-s3Mtz27s 167
ase/calculators/turbomole/executor.py sha256=IX0aqFPwpzKfTeJtCeZJAIPLCf0mGA0GGOM7mFny9vM 968
ase/calculators/turbomole/parameters.py sha256=uGLw3eFWQtvx63YrS_-t4mT2JJQt6vxkwOskAMXqEsw 29339
ase/calculators/turbomole/reader.py sha256=flSSWSU82Hh4tebyg4Mlt3KeQ9FHJ3QhoXFLIq2mFGU 25989
ase/calculators/turbomole/turbomole.py sha256=LriaM5otnBMIYL11h4r_TteYDSKOwGbczcOhzMarAQA 24716
ase/calculators/turbomole/writer.py sha256=qpdWNzjekEg7nPkhYv7tzJT39qMWGBc3_wRNwlKeP7s 675
ase/calculators/vasp/__init__.py sha256=orW-Z9TF2phhQ63taYfLyJDCXCFMyjltCCn45zjXI-c 273
ase/calculators/vasp/create_input.py sha256=Np4N3v5EDQ4vxJW2b5EqwS1oZlapt65V5GtuOGOoaLY 85996
ase/calculators/vasp/interactive.py sha256=LJXUaN4wZdDafu0ueeLyEpykHn8OwNPNcKWew4eYM3Q 4990
ase/calculators/vasp/setups.py sha256=cMwmTZREAEGSMATkfvaq__4KiHLQVdNuI4wGMmeoug4 4828
ase/calculators/vasp/vasp.py sha256=Td3o899Y4lmBMmpGIgwdouCqZJvULW3pm_Nf5RGc-0A 48234
ase/calculators/vasp/vasp2.py sha256=yTTcE5TBGlQQL66_IcMJhIjuQO6oGxKWbdobV05plrI 1094
ase/calculators/vasp/vasp_auxiliary.py sha256=qbQY46Ik5a6T2WhljAOoA10FcLmz5eY__ftpWVNvVZg 14120
ase/calculators/vasp/vasp_data.py sha256=gYbbDdiBUKHmue2zDvHCLehs7snZ4MKH5SvWp7nNrho 4742
ase/cli/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/cli/band_structure.py sha256=X-NQVwFj0qZEZ4ABbyhkYFL7ZszenwGK_VkDQ_FRpcE 1702
ase/cli/build.py sha256=Da8_o6pnrMdCcLeKccZuhkAAnFItXip-yFjLlQ7M8l0 6740
ase/cli/complete.py sha256=8Up7yW2OxiJxGHgu0aVIEUnEc2ZDR9WNhilwcIkObIk 5304
ase/cli/completion.py sha256=789zDaxRhxwMymXIVfabwvytMVmThx57mjcbuSZ407k 2726
ase/cli/convert.py sha256=0KYJkmXu3IBdHtcVGv67J8CZ6973sFztlwa7DXx2NHg 4873
ase/cli/db.py sha256=w3imHN0m30fdnucQOneiaVRJgLxTYRX5gfBYyN4W2L8 4927
ase/cli/diff.py sha256=Qgu-Tl07YWW9V4epAijtXvj4e6EVMk5DSridx4uPQf0 8489
ase/cli/dimensionality.py sha256=LFqYxz8wYv1jsU0NIWitssNmYXDfoSFuKf5d38Z5_3U 3562
ase/cli/exec.py sha256=xneCBfkAP7AQ--ZcxA63WAfYzVpHsdF1b5R5RdHk1S0 2863
ase/cli/find.py sha256=8Q9Ve_jjyF44hGG3-Ox9AVPfV2559nW6E_tObj1slzk 4068
ase/cli/info.py sha256=0bG07mlzOAz-LT0jWYURcbHIJV-mR3fWO1mkdrodank 3669
ase/cli/main.py sha256=jRGd0WIBcWJfPIkNtfJJKxT0uaEOwvbWA3Oa2QHL4yI 4737
ase/cli/nebplot.py sha256=2GsvC852bfzR3e19mC-qb_dW9Cbt31JENM-ZmlTPE30 1762
ase/cli/nomad.py sha256=H7tXW9hkg0VNiC-DqkwbvyqVkF9CVkoCIKA9fp5bCKA 2870
ase/cli/nomadget.py sha256=2La4zRCwwVQqBbDrLmocVn-r396BEuA-gq9ZCvQKZQY 739
ase/cli/reciprocal.py sha256=KFhcIGrqsObDLRkfG2YyNLa-5GzbE0oR8cHpFiS9ZzQ 2081
ase/cli/run.py sha256=3tk3wWrjzuEHNG5Ji54mryHC9-M5wyDnJL1kn3IP5AA 8415
ase/cli/template.py sha256=mB5WOwfGAnhqOCrFiNbo-UXKkeU4sL1HGKvTr0xGK_I 10587
ase/cli/ulm.py sha256=xx_FxfMZeLbhKshuGBYmU2XvBZS2mgg4pelPCWCK2vE 1204
ase/cluster/__init__.py sha256=W_cK1dDmnUVX9B42FhNK20oHy1XGkPwd6ygPawO2CZ0 618
ase/cluster/base.py sha256=a_jzHmq2T_YMuzQqzKlOjZAoqs_XCqD4KZvUpoIbIOE 4462
ase/cluster/cluster.py sha256=6W37T23hwdAadHsFCsU-mvU3-I8URjaOYwuEmWrblXk 2571
ase/cluster/compounds.py sha256=lTiIAohVmzeR7E2t-VJ9dGyaWvEcL4cneOeBSbyA1GE 486
ase/cluster/cubic.py sha256=ZkziwkNSgpPGET-G8LwXaebIXqZbyEFnBJVR2yOpnnU 1777
ase/cluster/decahedron.py sha256=xLo_PFnKVKOzdPcubibH9nfsvGZqRKzKR6LOXQnAxos 2760
ase/cluster/factory.py sha256=rjneyby9mDI2EGCkVs6R7oJdEIWHqeS8KJO5Yu51Amg 8617
ase/cluster/hexagonal.py sha256=s4HEyBBvlXTuuTfKNqCQ5gVBSHadGAX5Z7gLtmUj8fY 2740
ase/cluster/icosahedron.py sha256=TyFF5FmVuIv41Aax_K9T3IRPqIrQ1cpjw5klJi494fw 3700
ase/cluster/octahedron.py sha256=HDycHunawipBb3RtWsKeO6W7LDbZZ7Cquu4oY2QI2qs 2037
ase/cluster/util.py sha256=ODBQs9uLXosHn3yOgSBqvwHEpnBuydj0AtmktcLVegc 911
ase/cluster/wulff.py sha256=JWLsXduUICJgtcDToDClmDQGRRMvd3lNDktFoBSCMnA 6913
ase/collections/__init__.py sha256=jQpDKXFNcrZRrxiPM_pr0T8_3lTW4cA6BK-lCGNp_Lc 125
ase/collections/collection.py sha256=zxDVCLBWixib3LKKbNwU_s3BgLAvALIJ80_Fkcrb_hQ 2455
ase/collections/create.py sha256=6E15a0xXSHKIZENfz6OY_wu8NwiiLMy6MhbY7TWWKQc 1837
ase/collections/dcdft.json sha256=FQ4HAPM0hx6CqmtzN5dI6FTRpBn0lYiWbDElFW3ttt4 56688
ase/collections/g2.json sha256=jYg98RIlKzxsIdD6qvGaZCwyKsguGnXhjj-cQmfs0V8 72624
ase/collections/s22.json sha256=XmHP4NnxFphVWgdhRPY9-sFjTaoBTORlN4lLa4WLpEc 24107
ase/data/__init__.py sha256=BTOozLCgVwZUxI_2heF57ll6nI3xCxt5lYfcqtI5mOI 21616
ase/data/cccbdb_ip.py sha256=a013h7LYVr-Jq6Ddb2S72K_Iv_EhlT5r9dOYbI8C19U 2149
ase/data/cohesive_energies.py sha256=w5gfKJEGkfdzgPfWiV3iwTdcb1FlIzv8X2g37Ks2Pak 2062
ase/data/colors.py sha256=hDFWO6lydj-vKxaUi0IxG8lCX0w2gQ_MvN0mTYdj2CM 7232
ase/data/dbh24.py sha256=aMztXAM9r4kQj0C-9xdOEZko4vZHyYaO6bpwr9ZINCA 19333
ase/data/extra_molecules.py sha256=EkRZSNpE9OynoYLoUB2AsbfZ6KMykeY7gOLjStvQWhM 7657
ase/data/g2.py sha256=mUzK7Xo9tf-kc9QSbftr83ApTCKtN7QF_ne_gioDkks 1850
ase/data/g2_1.py sha256=LkWNYXUPNYzgCDJSXiPVKcZsGF9joOSljewzXb3DBWQ 39186
ase/data/g2_2.py sha256=ws0EFim1lRSO51Xuh3Qm-w_6gJbKP8_mJnK6IMGVCMw 82985
ase/data/isotopes.py sha256=uABIxSk_ztewLZweVygAv9uAB_5lrHApRqhcpQ-XCxo 2798
ase/data/pubchem.py sha256=qXULwctKh3zz93npbAD-3ZuugynsfTxbCzaBWCtns58 12305
ase/data/s22.py sha256=K1wOESZf3jTRp_4628sll9ky3rK84EfIAK1zZzFfmAs 197301
ase/data/vdw.py sha256=7FinIVnzYOu80sVFwKDFDQPjzjtKsdiW0rYwsGLRpB0 3020
ase/data/vdw_alvarez.py sha256=edL9mPRFJaF_XVXC_ATNDw2BwyZjreDdxYaByugJfMc 2088
ase/db/__init__.py sha256=Bvv2rUF44OEqMrPeAe1liEj6s9fuF11MNjJXchM1dB8 55
ase/db/app.py sha256=K1GMcyKZJWn23-v5oBLSe9l5jba1ktKpBTEf_H8qy4Y 5520
ase/db/cli.py sha256=PgJiTUoVZTSZHqc9kngo9r2CLlwyK42ZdZkteXICNl4 10572
ase/db/convert.py sha256=NH28rTzMtfwexQoSds3M4amIq7omEMakualCIYjsfEo 1888
ase/db/core.py sha256=HMrvgg1HOIEs64JdKUxZ1nS9HYHmsQ3Pt0DWE0vLep8 22996
ase/db/jsondb.py sha256=b6sGVj_zxhzNprH3FBEiA4XlOfT9ChKI_lEuXSNYWJM 6686
ase/db/mysql.py sha256=hFgq0uascOkklG-FBU75J8myuSUMrX1KzhBhV5mfTkY 8817
ase/db/postgresql.py sha256=MHBIbLZxPIJQ4Mdr487UrU6GVln-l4LElbnlcNrZmMs 6596
ase/db/project.py sha256=xJ0LQdKSNM_SO6UfmeBTvD0Ksg7RU_BnjBAPlTMZQWA 3027
ase/db/row.py sha256=L9vsSEFISFMbIo61G5V_akXzx2BwKiwafrOxnCWnKAQ 10273
ase/db/sqlite.py sha256=Oid2MmJdoXFSNHwh0thflLGKIvxkznr66oYbCwVNxQ4 33601
ase/db/table.py sha256=_4swdkpAQ153gIscanTvYB3_hroEA48V6raBh0iFje4 6205
ase/db/web.py sha256=znROjiUNH9StOMcKqgC04UPz3pPo4MB1vy1vVRIQt48 4740
ase/db/static/row.js sha256=s9INZl0MNtTaTJ5aG30u2EUmGlvUFqqnj_babYbakUE 759
ase/db/static/search.js sha256=dCLNqZ_NPNvaoUG2yaPw3uf90Z3NWSZG1RY1oU0mSP4 728
ase/db/static/style.css sha256=6bofR9N3cxdLMIxPObpM9k2sM49Qn3lpndQK1LGaO0s 755
ase/db/templates/js.html sha256=oOs7TcetnAAYBabNF0rjsiyW1zR0XeFyDGycqdlsZXc 613
ase/db/templates/layout.html sha256=ClMLXmlDl-E8rgpeDHlxWYBqoGVNKwVeAakULxBi15s 745
ase/db/templates/row.html sha256=pKfZ1_45vMYGcfZiP3q4kTcKdX4dmmg_6f-_UNSA0JQ 4369
ase/db/templates/search.html sha256=cDyCr7xAnaMHmidcryP2J08-apd8gaBkzlisXHrQU1o 2502
ase/db/templates/style.html sha256=V11FqXnCLRy4X0HlRROvlCk6H064GKxAvWFBDTlP3Fc 859
ase/db/templates/table.html sha256=g772mVTE1G2WOV_8D1vgUHk94NUeViFZBKF4FBzHT2A 4483
ase/dft/__init__.py sha256=_p5elIt5u1VLV6bvYdxA5JWiB-GYWH4ywbPb7MPPpOw 738
ase/dft/band_structure.py sha256=BO_IKRZV2HnkzN-Ldmo8zd2_RIvbyyEtn-mJUcUlYRY 386
ase/dft/bandgap.py sha256=MbK69EJwEiIPZhRH2wsimsEy0mfqIJk4FuqubjLPW98 6653
ase/dft/bee.py sha256=SpFu6g4s48-FG2X2hwGHwb9P3VKF2Y-It5JjHFd9MiY 5786
ase/dft/bz.py sha256=G6VNj5UWtA0ylu_EZO4jnoW_SqKLTQNWdmtxAhsvuWY 12713
ase/dft/dos.py sha256=g-biimSYa8GFykRCGQULZBcMc-hg_9T0lhoQttdOcNw 7792
ase/dft/kpoints.py sha256=jMvEStrjUiytDz3pScQNXQExTKC3j4fpGhRLWFBOcu8 36511
ase/dft/pars_beefvdw.py sha256=4JHp_-ACT9PCv9QburkZFS1OcXVvQtmZ0t4kAyvQyR0 23065
ase/dft/pars_mbeef.py sha256=hSYfvrT2OLphmOrRuc3UXTl7ySaV5PCl39BJ3kUlyTE 74966
ase/dft/pars_mbeefvdw.py sha256=aWnz7Q5ePB7QIsU2FSlRsppp2f9L5obN3jSx0gS6h54 14454
ase/dft/stm.py sha256=kcoP8iw720WQrs63eNyO0UtH1LFV8KfBVxEuP8yP67E 9436
ase/dft/wannier.py sha256=oH-AKGqcBRSYLOFoQ1GoOIiBDSi0RAUHu3ccy2wI4xI 43771
ase/dft/wannierstate.py sha256=nfil_PEcxVq19nDtJ8w4RqN8X2ALORMO8D4JZXJ-6o8 3462
ase/ga/__init__.py sha256=1DiBL8sCorvYgebwKGmiQhrxVDQhQKmKtqg6-4BTDVc 1758
ase/ga/bulk_crossovers.py sha256=vQvdg_MlNjkArJH-QCnY5gzXZhMPfz2B1Z4lsgUS9h8 279
ase/ga/bulk_mutations.py sha256=hmqRrIDe0FoVM1DXXNsf9kIXih9bce0UX8Z9696zMtg 310
ase/ga/bulk_startgenerator.py sha256=Zh8RJupKM74YoZLpMJjdq83VHaEGiQvlIasLb4sil-g 273
ase/ga/bulk_utilities.py sha256=ytLmrU6cIlSziFSqBYnIsLU0xy0_HbBzQ6LWFSzstMI 165
ase/ga/convergence.py sha256=fPfT1Ny1pdtOgXa5ke7xadFSTcRvJEm8qyIpnOfHh-w 3457
ase/ga/cutandsplicepairing.py sha256=P9PpTjVbgiBVtg1njsLSAJUd4w77HqDeeR2aPtHpE1s 17970
ase/ga/data.py sha256=rGc_AS5trCP5nfu7tXh0cegath37M1vrU4PF-XxiCjY 17329
ase/ga/element_crossovers.py sha256=r1ma4fAOLXAeIjKHX9wMKdozylu5B2BS0ULpmN-e2Rc 5639
ase/ga/element_mutations.py sha256=7sqmt4jJRQue5AC8jNfIEQJbbPxQzodQ6GeO8mMdBCQ 24798
ase/ga/multiprocessingrun.py sha256=TwhfTd7GZSH7FujajVbkdSdrt7vPATEntqw2kV--i-E 1888
ase/ga/offspring_creator.py sha256=5RzhV6LQBxwNBp0bn4tMry1qxM5UHzJ0YqJCobfEwDQ 4240
ase/ga/ofp_comparator.py sha256=T_TA92StEF5qKxyROfB_YUWpA0yBfBBHZgPz9w5BS2A 20626
ase/ga/parallellocalrun.py sha256=vYtL-60hoFQWHSiKsTjywcQXOijMIrUuZdfEAV7OPo4 3380
ase/ga/particle_comparator.py sha256=LY5Hx0tSqJ-aS30M00p2dPthaWrbOjGS1ckpMbbnI_c 1240
ase/ga/particle_crossovers.py sha256=_-c4leLDDR-bs6zrrVA8FGfEpxhoYGyFRRwJeKCWHIQ 7329
ase/ga/particle_mutations.py sha256=tfCwBie6PRDXp_QCEVUnvdhtZ76aMvnv4_4fsKRLO9w 19004
ase/ga/pbs_queue_run.py sha256=2aeXOY_9Fae4OKWtpcuCWyf9twcerRwFP18LooIxPnk 4820
ase/ga/population.py sha256=OhOZyMEgJQVMoZGhxoIoR3SGphM7B2Fukl3knhVIBVQ 35127
ase/ga/relax_attaches.py sha256=7G3uaDd3dZ20ACeEfJy1k1zpPtxq2Zg1P1pziTmY6oo 2497
ase/ga/slab_operators.py sha256=jbXUgOoU5Bs9RpYwPY3KzvVDe-Ahdz2LCI1LaRFlXUI 20272
ase/ga/soft_mutation.py sha256=6m0407RK59sSHaiUbXZBsvYg1E44MjBqx-LU3LhHFlQ 14325
ase/ga/standard_comparators.py sha256=kyNe3cbQ9W8NoWF9dH2Xam2Pncz-_SMrtO2RnMx0FEo 6282
ase/ga/standardmutations.py sha256=h8zjkgqBkYA8CDivar1KKj0KgaUHLeDbH_tIs4yshRQ 24326
ase/ga/startgenerator.py sha256=ja3_Ot-CsKy-UP7NLPy1MzLnU9537NWmNBmjd_KCNww 19371
ase/ga/utilities.py sha256=aVY3hIUQONJsN-bodMj0vvLFag-7BjvxSr6cPODy-m4 20051
ase/geometry/__init__.py sha256=jgZo329K2U984jE3Ps12_WtAErBe86thTcKd3BZRMoY 1250
ase/geometry/analysis.py sha256=f5N91anec5XtsBnEDQvK2N8VSA-TVIakqy1BPbXNz6I 23538
ase/geometry/bravais_type_engine.py sha256=a3Xl0BoE5LJQUUV_oV6N_2FUxMA24TjyPvYtSEnvQRg 9661
ase/geometry/cell.py sha256=39ZUSEH7ePIkmzGDdd-3zFdfeM_6dd538ts-21BZqmM 5562
ase/geometry/distance.py sha256=NNlbV3qZUf6Jiho030f2ptj_FUzJ6vuv3sqSrjAPjNo 1777
ase/geometry/geometry.py sha256=fpRHlvDhdtgoznfxkLb3GBPDqws7GO5agRYYhT2FGfE 16430
ase/geometry/minkowski_reduction.py sha256=B1DHJWhvLAiY-wLVXvNXJdrcJpaKMqsrMXHEEblotGA 7945
ase/geometry/rdf.py sha256=fKw0UOcV79mbKTi-lOkIlsNjJIKE8WgnQreg-5jNr3Q 4452
ase/geometry/dimensionality/__init__.py sha256=RMpot9ZCFg-z9X2CvpGH5y6TDvTCmcNEqBGwL6ylb0Y 238
ase/geometry/dimensionality/bond_generator.py sha256=caQ_nzkXahGKYkez1UthDY99qzCG8hepYHWxyxfNboU 1667
ase/geometry/dimensionality/disjoint_set.py sha256=v8PHy2JxjSvFI0-f54lQ4Z5N5HIpWjSoGDennfZ9itg 1389
ase/geometry/dimensionality/interval_analysis.py sha256=r9ECJijS5oDFzunhNmp7nMrA5LCPxFvN0XxVeh7BroM 5983
ase/geometry/dimensionality/isolation.py sha256=1XJeGsT93atdBSh4-dg8SQCw7j6rVLLh6N_sX2xzkic 8610
ase/geometry/dimensionality/rank_determination.py sha256=N7nvzco30dG8jC1Aa-VQnREDdqv0cAyUkvNTRbwBNTY 6341
ase/geometry/dimensionality/topology_scaling.py sha256=JlY3yno6dSvjl9reJrTpZC92xncibSpn1A5vEtBVi9A 3286
ase/gui/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/gui/add.py sha256=Dp--v2ZJT51VqIQwbMBn3MRdlg-sQ0Vin5p4-42Mt5s 4845
ase/gui/ag.py sha256=JW2FTe1W9Pg38QqdOTPsILwjgI_kmOsK8FUyNjMsXi4 3885
ase/gui/celleditor.py sha256=Idcv9quaqmmwjkGMgcSgFsxpR7HY5aITq8d1Eo_VAVI 5553
ase/gui/clipboard.py sha256=JGkOaMPdlUp1ezddyhXK7fSqv6CGhLQqO3kOx3CeL2c 708
ase/gui/colors.py sha256=t4dSoA7gS5wK41mFeNnXNVlqrFPbwYJNa_9m1pIOt60 5907
ase/gui/constraints.py sha256=aM89Dz1omJhmu_1rmDhkN8eIk_dL8c4vwck97ZeRJMk 970
ase/gui/defaults.py sha256=OUL32F1rixdCPq9pbL4oOSC9xByEGRj8uhqUFtGTpWg 1153
ase/gui/graphs.py sha256=BomRi4eLoBwAi6n6RLWt6BC64b_C0mmil6R217a1mn0 3317
ase/gui/gui.py sha256=EcAQJnlDGtC27kzb5fUKmj6gmRzRo8xMM0L6B09s72s 23578
ase/gui/i18n.py sha256=elbndo8xbhxPneJ07ZqonvwGfYtWmEDWsRkLmJTi3ts 1076
ase/gui/images.py sha256=g2RRpnJpx3WiJUC9Scga9pgc2M3OTjVKHdoQvSRbhj0 13984
ase/gui/modify.py sha256=rKMLrwVMrYEJmAaL2qZh2KKxfpTU_NwSXhgArGdbvXU 1977
ase/gui/movie.py sha256=mpWIcX-kWsQAtHhnTnvq3wtl_sLFNxGSTOiN1rUQmcM 3005
ase/gui/nanoparticle.py sha256=rRviKgBgbR_uE6fWMkNp0ukzyQ3d_W_tyOAANuVWE_k 19548
ase/gui/nanotube.py sha256=zwBEatPJxu-jL6In7VaijVdZMuy_B3u3YHgMv73PpOU 2866
ase/gui/pipe.py sha256=nG2xTaK8j3qJ-FInPv2b-SjIAt6Kopf3GyNBTCuXssI 687
ase/gui/quickinfo.py sha256=32jJ7xLmNW9WSTFKNktx06hT2MXL779U7U6IVRaRCjc 4397
ase/gui/render.py sha256=6OEzCnuimTzsO7-wXuqVD4hQoDrB3cMVmNkEY3bR9Zs 7703
ase/gui/repeat.py sha256=DubwmEqzUVtgkI1o7lOVH1NzyJc2XpbCILvZXurkXjE 846
ase/gui/rotate.py sha256=RTn_Ji8_HG2HP50TV5EKQlvm-VZa4obSTPInO9Nwlj4 941
ase/gui/save.py sha256=nGMMogqEPjL0CqX4hrMPrm9xJI1Sjd7qu1Z4-FHPsUA 2895
ase/gui/settings.py sha256=ExQjDAXJ9Q6HWrh9UwoN3G22v4ig5wMVOYn8r7VYGYA 2851
ase/gui/status.py sha256=LEKirCQUnJaxVL3mkRDci2MXLOr6X143LbBmQUsJP8Q 4732
ase/gui/surfaceslab.py sha256=6sl-kmXjg3L5FdXbr5tb9sfYCxqCi-UDsXEtbXpwskE 9381
ase/gui/ui.py sha256=LDfvcv7lK_L7sUwqhJQoQm6ZIIpRIUQ20Zpc7BqOUK8 20800
ase/gui/utils.py sha256=tqDN8CBxWciOfW3AYcRUyqtAiRguaB8NyjLFankFQTo 219
ase/gui/view.py sha256=wsgwlke01wmYibm0Mtu6B2WlZAooTurdfLv8qENgcHY 23532
ase/gui/widgets.py sha256=CnOUnhvccJH4RQs7r4SU8KndIyGTLx9TvWFU05qYYPY 2396
ase/gui/po/Makefile sha256=xJLLboIbS0vjt79P1fYS2cv66OHLgqZlnSP_9D66n9g 2867
ase/gui/po/da/LC_MESSAGES/ag.mo sha256=aK9V564ZGpnCqPtChn5gqpjS0spZX-9RMvWWbK98_fg 24777
ase/gui/po/da/LC_MESSAGES/ag.po sha256=woyohsG_RL9PBxYNvR_NaofDXgYjlUuIMueohJ4vBU0 87164
ase/gui/po/de/LC_MESSAGES/ag.mo sha256=yn8nnNMMKNgiDRy97lTZM18_EYQob8tdpW0gzSkVzOU 22595
ase/gui/po/de/LC_MESSAGES/ag.po sha256=MGbGAGNhzwyjZPzDuJ25NI6cd9Pl0L8p3WOMzux0rxY 65721
ase/gui/po/en_GB/LC_MESSAGES/ag.mo sha256=k5UGt4IqQ5ioK0Ni6HN5EYo1ukUj3xxpSPuy31ec1v8 24432
ase/gui/po/en_GB/LC_MESSAGES/ag.po sha256=fKuTP6Nww29EF6apekyM8PZ4N8thWLKLERRv0L0D5Hc 85817
ase/gui/po/es/LC_MESSAGES/ag.mo sha256=fWSjhpY1wmahU9ZHaXCWczzNTZ8RFeG-7Ayu4_gXas4 25996
ase/gui/po/es/LC_MESSAGES/ag.po sha256=ByC4cxrjWxIt-7f5oISh57LBAOro8-zIH5_BvBNim1A 89557
ase/gui/po/eu/LC_MESSAGES/ag.mo sha256=63vu5MDJxHO-cGgyc2Cko6am6P0XKz54MHY0baLbNOE 25300
ase/gui/po/eu/LC_MESSAGES/ag.po sha256=KYQsiQfzFFLCnjrdGGLKQV5Bf9nzLeUn71BOrI0pn6M 39599
ase/gui/po/fi/LC_MESSAGES/ag.mo sha256=SorOaOgLg-MJoMdzna5a8WNMtCyfBWNLo738nzwJYtA 22904
ase/gui/po/fi/LC_MESSAGES/ag.po sha256=vdxfmAU92GahqvdTcfqowi64cMiXASzP4TlGOkPWynQ 32752
ase/gui/po/fr/LC_MESSAGES/ag.mo sha256=iUhtLPZWg1eaUohrTKGMGKoDkTJZTL47UE3NxYRyVJw 30059
ase/gui/po/fr/LC_MESSAGES/ag.po sha256=QMWaYSB1JOdrT5wIHqYRtiKwgc01ElZ4rtmCUgRyEe8 39974
ase/gui/po/gl/LC_MESSAGES/ag.mo sha256=Z9W5aReROqOR1fCRONCl-wIf4VLPFPYrcu_F03FOaOc 26818
ase/gui/po/gl/LC_MESSAGES/ag.po sha256=qkcbXm_aKGBbe2XM2mdlXfi33TKjibdNufPUkcQgEmk 64313
ase/gui/po/ru/LC_MESSAGES/ag.mo sha256=JJkDw2lWfw7OmIb6CFm5gz_ZG24prrSYRh89l1CRQ9g 33742
ase/gui/po/ru/LC_MESSAGES/ag.po sha256=tohlcSFc375rHy97hzqB6bL4qYC-1HN4Tl4J5k5Buoc 43387
ase/gui/po/sv/LC_MESSAGES/ag.mo sha256=UeFzeTv7yLXkcyIYIICrajlxpxtkp416G8O5_l4pz48 24809
ase/gui/po/sv/LC_MESSAGES/ag.po sha256=zocZwNzVHIYNi-SaNowgcXDkInn_yrhzKBA5CIEx1O0 33628
ase/gui/po/zh_CN/LC_MESSAGES/ag.mo sha256=wK5cBPuI2gbaWyKu9sWotBI5l8LW80_gtRWC2tU2PPU 24126
ase/gui/po/zh_CN/LC_MESSAGES/ag.po sha256=C_EvVl57ABAmYw4BUcRd0fyfDj1fz4V_ag3NxRvWMA0 80442
ase/io/__init__.py sha256=YQDwiGVGuH59KcfvOo1w1uJvm-5fnkGSeZAMoWrnSDc 442
ase/io/abinit.py sha256=1TR0fvwzqXgH-XdlNZihhm9kc6V1wtCQQ-br0CxjVXM 24161
ase/io/acemolecule.py sha256=cvmTr9Y3fJMK9IBXjOtsLrLrykKLCsB_CZbhMteg644 3963
ase/io/aff.py sha256=GkZaUVBabX3KR8aS0hzw-jSNC0-uJgmJgvHIJJ9ca_Q 262
ase/io/aims.py sha256=zavTc8XDlOn3T4ylLIn4ie3qHdNHXZUb1Gcy_P4m7fs 57126
ase/io/animation.py sha256=RIUtz0Xd--cb9zQ6M9Dy85zYQnBef-yJPgqu6CNPZsA 730
ase/io/bader.py sha256=FxSOcYAG36QWzSTewES60RxlG5HkC_6aWUGM7ocFLKI 2023
ase/io/bundlemanipulate.py sha256=2nIbJBdlgwSWlOWvnldl51__HS1QQqXaYgUrasXTvAM 7563
ase/io/bundletrajectory.py sha256=fKELqICzH02jWM_pyWyA4xnh0OuVIhfpeM0b42Yscr0 38396
ase/io/bytes.py sha256=Qmd6nKHrwURwnlAQd4fY0NfXdhtQqmsT7vGK_rApe58 777
ase/io/cfg.py sha256=N7CpWG4DrQIEO9gyZTX2k9Bko6j7i7USAbSPfVB8za8 8398
ase/io/cif.py sha256=dQzho1N_F5hHL8rK2P6jy4K3C3LC88wlRM1ZcFSmLX0 30088
ase/io/cif_unicode.py sha256=ULDLFSRfytnaz8zJJuOZ7fyGL0HD_5uz_omAuqyK50Y 13663
ase/io/cjson.py sha256=uxsf9c5YQHx78qlfS7ZcvoodiFTyIbBNp0lcxXFUHSE 1277
ase/io/cmdft.py sha256=nBawXbihZ5uWUJToGlTnz0j2ULSciniQjG-SvGwQynE 499
ase/io/cp2k.py sha256=cBwCRr9Fw2o7PpUl2juXhWtDDrSqeJiDFSUMwF0poWE 10689
ase/io/crystal.py sha256=7wCZyDH8VoBlaiIR14FAPz6m871wTPQoephYae0fCyo 3334
ase/io/cube.py sha256=kCckC3JC_m8sl1TTQNwgzqyLkQR7gyKho3I5SFGpLkI 7354
ase/io/dacapo.py sha256=k0dCD3izYdF79QZ5sz1stoPnneL4CSOwb7So3lfR6SA 1444
ase/io/db.py sha256=sq0Uf0Cc9UjSNj43tbwoLF16fB5Xlg7XyQezLz92Xjo 1060
ase/io/dftb.py sha256=Sq41dVsGBr6RJMiEEQHew7dBCelN--vlaXk8RuQaOv8 6479
ase/io/dlp4.py sha256=aomTBzXvZTfOk3HoRU7YBiEJL_TcWSIDdd3WkKua_O0 8502
ase/io/dmol.py sha256=YqDFJ55DL-zfaCoCEX-CGtpsp7yFFCcW2xDPHShIcuA 9430
ase/io/elk.py sha256=vDrfvk8Iq-9Uz5oePQSyY9JcW3N2i-TnCtO2VN9I-ZI 11935
ase/io/eon.py sha256=a8oA-NpmUL588eyQK0avcr1GAuGWN4noi0bvNih9LyM 10541
ase/io/eps.py sha256=su2BHfBJwnGgJh63iVZd8iy3NC5pi7jAe40QHKpQNbQ 3577
ase/io/espresso.py sha256=7JADkZk0_NNaCoyGTkQZNM7prckG9uniFeDBtxbStQk 74748
ase/io/exciting.py sha256=mIFQ0LL8Pd_uP9zZn-e7OSAO_76fEvbxWurFICuPMpg 4161
ase/io/extxyz.py sha256=j3xCuXEyCiqZPsHuamIoFBKEeIsM_tfDea7zX37KqP0 35815
ase/io/findsym.py sha256=kDkd4AgJb2x5k77VlfijQvRVgLIfeYJkl_K12sJJshA 985
ase/io/formats.py sha256=HONSh-7yurxJEFCqsE93oNW08WJ_0WdQgjaNcQBGyQI 33669
ase/io/gamess_us.py sha256=OD4pwfIpYBTWDxeBMIdPWMNqy9uwHuE5x50XY40ByDE 8658
ase/io/gaussian.py sha256=O_Q1ufkWO66TZGSX5g6ppdQcnEHqQz1h9BsLae7clE4 53704
ase/io/gen.py sha256=TZwWTpQqamqB2gCaxQvhxQTKpuq2eu1SUqac7enT6lY 4607
ase/io/gpaw_out.py sha256=g_ehaJBW68bub0QN_CaHIACIvWjYqxgfrO9i-DkHCf0 8703
ase/io/gpumd.py sha256=45hFetKbHnYR9bV5ory4xs5lXcjpY1ctxHreLWuPM38 10505
ase/io/gpw.py sha256=x0gXAjX5j0e4RMCqe4uWcGkANTr2wwXztmEfZMywLJE 3313
ase/io/gromacs.py sha256=BYMbeeTdzZauf5hgXZyNlGcnb7YzySfcQLloRjlhU-E 7007
ase/io/gromos.py sha256=uS4quEC1HLovU19cB5OerhuF4gCz1u0npnDr9vf7K_I 3863
ase/io/jsonio.py sha256=lw6Vrx6iXA1QdEcemOosxtLLtvp79VS_34cexofl27Y 5450
ase/io/jsv.py sha256=KoQPBaXBqXkZXs_2tfEvw4SVmPHQrD5sUaL79agjQng 4772
ase/io/lammpsdata.py sha256=rfoAqLXdJTEU5RHUDhLvHW6IgMtVZ_dQD-e0nh7JlcE 23543
ase/io/lammpsrun.py sha256=ImNKjMc5vKUgqUjP7ap1GAlKOgJLB0F0RQAdKuIw77w 16843
ase/io/magres.py sha256=lS6bpj0S9OCrFkBZ88VBm9TEup76M7vGKAPe83oBunM 20585
ase/io/mol.py sha256=2-5AnYajHmzyVDb6EXz0vSer_T_rFFhZ6-qDKXaNPPc 158
ase/io/mustem.py sha256=osf88gQKHJM_BsvM3NN__AsQVbv2F-ZSa82xKE5nDB8 9780
ase/io/netcdftrajectory.py sha256=nRggGh-4W3bb1fsDrnN9iOdHYfpVZ-9EyaclMjHf-3s 25712
ase/io/nomad_json.py sha256=rA4N0KAHEIxEO8amFyW4yhQ4BHfhKXCd0jyYH8q0Uew 334
ase/io/onetep.py sha256=jSbR1ose9ZozkLQksNNONmQDfqDHSMTPb4ApgfaoMbw 37304
ase/io/opls.py sha256=yOw14-DYw9Vnh15eeVbrGhAAU3g25Gt2J5A-GpzYszU 26641
ase/io/orca.py sha256=n08w22scNEsylIuuF6dOIJYyNR-ZihRPXOvYfMO82Ps 5233
ase/io/pickletrajectory.py sha256=w0pNDlYJqoJyzN3GEL8aDlvPmAizM3zeaoAwswbXjSI 15507
ase/io/png.py sha256=BbS6K8IBs6SihdTt7TdZmWgZqYnY4h_jvdZiaodrJNo 901
ase/io/pov.py sha256=RGIxWV6r2TgoH8qd9SjY22uBS3uglU7MRl8MRlNp8ZM 33148
ase/io/prismatic.py sha256=ehSVL7Fl-8l6TniQtIun5u_ilmf6Ifbeju-fX2R8bcg 6158
ase/io/proteindatabank.py sha256=VIFYrbvEC6lFb0TP_xKN6MOOf4qBDqcTjgnM3KtO_Us 8276
ase/io/py.py sha256=RsHbNUp5htzI1U2VZCIFbQS4lkjvdluPX9MEjnbr-Vs 1232
ase/io/qbox.py sha256=i4xY6BO5F48cYHpA8MonwrK8uHj81ttXxdcDiTqQn4g 6779
ase/io/res.py sha256=8lDt1sz2zbuzKT5ZwHHtF14wVcUqSX0peit94Zz9j6s 10234
ase/io/rmc6f.py sha256=rRGBZABwEKVsHFsIJlVrScIW4iezZsF10y_n8cp99Us 15605
ase/io/sdf.py sha256=HLIE4DBkUKnFNvSwR-mFOdP8OEis2RmRqelZroI42Z8 1179
ase/io/siesta.py sha256=yIBbDNVXmlyA-nTpQ0Kwf-878cghmzjUlf-7qdW_lLQ 7511
ase/io/siesta_input.py sha256=K0954g_hT4I9wczyd3z99j9GvEoOBPycOIpUC23nRS0 4749
ase/io/siesta_output.py sha256=FScXtmaQqUKo7Wb7WwHhZovV8ECig-OGgg4HtppI3Kg 7100
ase/io/sys.py sha256=YFWue7SN6Z_swsP_OP-Pr5PgIXSB_0CW3D6Vn3X1rrI 2135
ase/io/trajectory.py sha256=nQZkoXKIOIEamzYKjt_ONoDlmUqEr1JtXAXbNTCgPaY 17085
ase/io/turbomole.py sha256=2DbFf-XYyDl-VcL5k83W-DlOHPK8ZZy9OBS12t7rBBA 5885
ase/io/ulm.py sha256=6ITyfy8KGTv5s93q0mCNSmZ1nkCtvVRPkwpOia6imK8 19978
ase/io/utils.py sha256=Ysa6ctltrSoXapq1bTLAF-WlGIHaUoV1iYI_D-veUSs 10852
ase/io/v_sim.py sha256=EsBMXFwOMazNNXkT7MFlhrH3CkYBkfC3epoes2PUNtM 4251
ase/io/vasp.py sha256=Sk6oP3Rfp-Fh6AaDRnErySGnEnOzGJxDzYZ8pYzYZHI 32311
ase/io/vtkxml.py sha256=DRuvdNmoolK6K8qqCTmaqdl5G1m2GsMWJbXBbL_pj_E 4156
ase/io/wannier90.py sha256=CMYhgLFMU4bNdsJUr4HUmI7SKxhcW9vcn1EvzUujOow 2166
ase/io/wien2k.py sha256=ViTSxF-5GsgGsH-BQIcj56vDal8_Klmxy_H2d0Rp1c8 6068
ase/io/x3d.py sha256=GHC8s00-RDavaQOJ4eYt9cKIGbc7ta7RVTt_tIef6AE 8113
ase/io/xsd.py sha256=H7bwW0n67PQONn_b3rmUQO-q9wGmQCL8fykVjaODkbg 14753
ase/io/xsf.py sha256=jdk9SjumPgQvMqXP3r6usPZp-veSkeFRvHJzZuSODdY 8620
ase/io/xtd.py sha256=FLBe4FAQy6quHaLRc8RzQHAWr5FEgsKFoNYlGFJSlMU 5812
ase/io/xyz.py sha256=QMMo39fQb4PNkzJ5_Cq5N6DC0YiJ1dgeMR-BdBuWuPA 1668
ase/io/zmatrix.py sha256=8YLMu7XJeVzEE56CJyqk_I7VXJo9DUm6QjSvNKzfULc 9170
ase/io/castep/__init__.py sha256=JpfbEO7rmhzjXU0hAgkV3rl5b0SUtuawbVZ7ueZzMQE 48201
ase/io/castep/castep_input_file.py sha256=Z123P37kctb8Q0SHkYaraJFKbjsbGRLenEgpR89yq8g 17997
ase/io/castep/castep_reader.py sha256=oFkJxjC6zPZkNul_4OyeCs8v2Rt_wO9XBKYGlk69xHU 23760
ase/io/espresso_namelist/__init__.py sha256=ibvRzoflUYcSzVvtImAB4Cm45ndaxPxe0V9TTfcBVbM 61
ase/io/espresso_namelist/keys.py sha256=Rfon17PWpeyEdGRnPuifVW01OBHA4Wu0KuEMCs_cj4k 25121
ase/io/espresso_namelist/namelist.py sha256=iNXv5KZxweEekIhirG89WbvL0Wfnf0v7YZK8OHDNM84 4741
ase/io/nwchem/__init__.py sha256=99U2dT508OwDcL68yPSmWId1cV3btUdBxzCTwVerP8s 184
ase/io/nwchem/nwreader.py sha256=fFjAnMKhULy0ylhU8f6U-xOa75-ojB1UUg8DM_kwqUw 23267
ase/io/nwchem/nwreader_in.py sha256=b9a_eHwxLWYpRL2gxxsama22mhGlNtJHmsLHx-dAAd8 4504
ase/io/nwchem/nwwriter.py sha256=bjImWEw_jvxR8JLsSPtn4FE0Meh6eXslChqhtBWYHv8 19612
ase/io/nwchem/parser.py sha256=5thoS3grnlvhj5u9xHTZA3k6r2QbBw42JWepodrvPs8 255
ase/io/octopus/__init__.py sha256=Y4diV8QDNfYqAO1x_dFFhepomOFNWUZ2lngwbuumBjk 1694
ase/io/octopus/input.py sha256=djfrnGSegX-f-WtnUIXLOn8DefQHzI3PgzNfS5N81XA 19884
ase/io/octopus/output.py sha256=9ITO-ffxgdNr7WpJGOzoP6Rs4xcNRVATCyRuTcndDb0 8225
ase/io/vasp_parsers/__init__.py sha256=FcVO2xHngIumj2_YUBkhUqWG2VvQmGrYO5S31Pt2zgo 71
ase/io/vasp_parsers/incar_writer.py sha256=zPnV0yhFgePz3IPJHzIb8YeHWn8MJYLKpO1Pzx2HKeI 1276
ase/io/vasp_parsers/vasp_outcar_parsers.py sha256=MrbD9owRPL7eo8tEFH3W_wCSBBZmmp3Yn7jSROcjuHQ 29518
ase/lattice/__init__.py sha256=zqoyswXQh0ZZk23Aun61KrOiNYJbDof15Xfnei3059s 50119
ase/lattice/bravais.py sha256=fss6eUjufMc_PXo51h8jBX-vje8BuHECgU4ghGk0tE8 19408
ase/lattice/compounds.py sha256=02T9ky2kFWQ4U3YzZThYJoGz54cW1QKLlHJnpIKhBUs 6939
ase/lattice/cubic.py sha256=sIEanLpmfWQctvZ3b8z0Lf15G8jz0_WMG6tjbHYd9AM 4459
ase/lattice/hexagonal.py sha256=er0TXTfiWx56ZFZVpDhoiirWuWvHAOF0a9pis6Sdu9k 4176
ase/lattice/monoclinic.py sha256=jARhMxqHHE0eXKyWbwb0XMFkGjE8xvrXJEeBNwVPz3o 1661
ase/lattice/orthorhombic.py sha256=hIXrabDw3KuBZyEI2SuV4mnngfEWubYpLUO-4lags2I 5487
ase/lattice/tetragonal.py sha256=1AE_Fencc9NEVOjnwzMVc1Kr-36-P6HWZTGB6DpLrmA 1446
ase/lattice/triclinic.py sha256=EriQeFb0tukESr953fn__p3tS-1QJuhWHrXardDyG1M 3297
ase/md/__init__.py sha256=AUWZv_A8PwTsSFwSA4-Rkri2D9GttRtFgzi3ZT8w7js 243
ase/md/analysis.py sha256=TzgAuYEfIDNZBwdgo8gIiNSwrsZTcu31LdEjKv28i0M 15476
ase/md/andersen.py sha256=tHM7nOyvMqGLZrYUzvHTL322BlE3H0EPvMbFXDAKuJo 6214
ase/md/contour_exploration.py sha256=S8vZsl-qnVWXfkFbvnCw2u5H56oKVZFiuHxqrYlmWjE 18708
ase/md/fix.py sha256=rz7XzcspPgrM340yKEJmP44LRnu4nOpiBWxGwNqO3NM 1227
ase/md/langevin.py sha256=Rk2AiQzFOQZ1elDOSj-UC0pkFnBNM_0EwvbpIN9ncdY 7446
ase/md/logger.py sha256=rshF9CrahAWVsXdo_ETK-DsURfL6NtTO7MURb2iCGI4 3174
ase/md/md.py sha256=yaFc6ajQxuu600oqd3qKFZgqhFbfkkxYZpa8q0sD0CI 6747
ase/md/npt.py sha256=ycXAHX643GdA7JoYX1U_JUMNu4T-T3kcPv3Gxk9_uRY 27857
ase/md/nptberendsen.py sha256=MbA3I9QQqp-TpkqdmZPaNGRlljT4e16xe4bY8SYh1y4 9930
ase/md/nvtberendsen.py sha256=aCVba4IsyaT85wuKrZBejanX2__DgxpqZHxbMAGo0Do 4993
ase/md/switch_langevin.py sha256=xGmpCuaARMuQRu7ZICPf8GeR639VbsWqlzYbESV2HB4 3947
ase/md/velocitydistribution.py sha256=tdbx7JlvF5cxzAev9xNGfU9upeGpIJJZblpN67u6oWE 13196
ase/md/verlet.py sha256=rA6GTJ5YzKjqK0iFwWD_ItBUBHA_qGJkvfiUT6oYi7Y 3025
ase/mep/__init__.py sha256=lBKzSimNb_rjblGfJ9ersOXP_L-A5TN7mqaqz_ZfNLk 509
ase/mep/autoneb.py sha256=po_w9YcqKTRm2schaSWZksQXTmwMEuUc6364K0jUj_E 25072
ase/mep/dimer.py sha256=spCpeAKui-4k8RLkODyiHvwkakEWaPIwEMi7kQ9HYec 45465
ase/mep/dyneb.py sha256=0P62ySqMAcVUb4F-leGMv5t1FEHIbs_gddLmbCcJCdU 153
ase/mep/neb.py sha256=NLPZsACW1fOQWSMZxAqcTN7B9MU0_nqEWJfnoSOHFzc 47408
ase/optimize/__init__.py sha256=36jlLVwAQcYSeeP_yn2RzDVQkw7R2HsCzZKSooMZjro 758
ase/optimize/basin.py sha256=_anhCaZA-G12JOscKVC091e8qsYvMoJszXYvxmNME04 5161
ase/optimize/bfgs.py sha256=eaXirIZF7vJS9XxqcuIgQL5YsgwPbyij_UbdjnWU0z8 6492
ase/optimize/bfgslinesearch.py sha256=Y0OdO64-WYmvCrr1JTuZmBLrdemY85vaRqmRqgs-LX0 8122
ase/optimize/cellawarebfgs.py sha256=iL5ZfRermUx7ZgGEEtGTMzntTY18_SxDlw53JYgPnzM 5385
ase/optimize/climbfixinternals.py sha256=kiXSnvK74Ep1s_Hl5bhmI8_-7FYMu4kIslOBt-myPpQ 8756
ase/optimize/fire.py sha256=zASk7XXO-YhmkhkoLkGNtrMeENPTXHFA67wRykmDz8c 7569
ase/optimize/fire2.py sha256=jVHkAHBWro2Qioq3hw180w116GHu2fmkLmXbF7wa_cI 7579
ase/optimize/lbfgs.py sha256=ro2e6SKcCqL20zhAka2EDHVQhJYFpUs-jRgTWIvurWY 11271
ase/optimize/mdmin.py sha256=WebYiUGa43wyTQJP9Uymq14xYCMOtYEAWinUCfh7PMo 2797
ase/optimize/minimahopping.py sha256=PECxZLvWPQjmTQd7DAm7tTh9mL-RvTC8TZIx6_BfI3U 29488
ase/optimize/ode.py sha256=421ihwJe86mePzSKdz8LD4ulWI-41c12u3FhQkUVgw0 7416
ase/optimize/oldqn.py sha256=s9-AwUpZ3U7p8-tgCbebsh0y64UQ5vZXBA03mqWhTjo 12694
ase/optimize/optimize.py sha256=stUf6LwhAfG13vFxXLfwFqRRbArqS06KGv00lgU86lQ 15525
ase/optimize/sciopt.py sha256=Qc2oF61XTqp6lb0TydxTlxyUmYxBol-iYGNxgaD4xXs 11149
ase/optimize/gpmin/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/optimize/gpmin/gp.py sha256=52nZvdeK33FMHVkxPD5gONw762aILRiusamGop8y6Kg 7108
ase/optimize/gpmin/gpmin.py sha256=X05l5wlvbDvuLxkcpdy9YymUUa5eQkJInRp8MUZAqJI 11215
ase/optimize/gpmin/kernel.py sha256=RZwqy6_EdQf8a4g-JDGpjIvn7fCF8AbjNQv0XbPZIKQ 7293
ase/optimize/gpmin/prior.py sha256=w7GfUDBWKMl4uS5xlgiCSBBZgYZjLQjnn06iTZ8J_Vg 2297
ase/optimize/precon/__init__.py sha256=wUbVAA8ZhWb0ouuv2zdpUwT8YmC-f5jPaAmBBfT6hFg 1698
ase/optimize/precon/fire.py sha256=WM_le07_dhfgMfBmQv_bAcieukGIHHGg7PD497scTuw 6994
ase/optimize/precon/lbfgs.py sha256=PsvD-KTgd4ZrIH8EvVk7TpgYCYyUVa6M5ZsDmncpUlw 15723
ase/optimize/precon/neighbors.py sha256=AG3gAx_pERNZC52-peBXYVEha_zSQJ8rJ6qQ0bJZuFU 3864
ase/optimize/precon/precon.py sha256=W5Wetge3ciFPJy_dBVldHQXOowUdduwY7mOb51LtaVY 51595
ase/optimize/test/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/optimize/test/analyze.py sha256=5XWHdls1gPF7w3fx5Hcat8vErCyNNy1cSRf6W9h3Edc 2006
ase/optimize/test/generate_rst.py sha256=f__Lwyj9yKz5RL9n9dG_ZTX1IFGmU3ixizLe1nyktUw 1783
ase/optimize/test/neb.py sha256=gpVLMbN4I-QTzw90QLJQkeC_K3kUIZVVUwFUIqnHmy0 1255
ase/optimize/test/systems.py sha256=lw3v_oqxNvUXHBS_0ZxPlH-Wg1YtOjofGS76Y-H37Nc 4175
ase/optimize/test/test.py sha256=tfQcRu65d7--ecYuvhhbtKcnpwCusBpZk74Q_Epoe1A 5579
ase/spacegroup/__init__.py sha256=M-BpYYVQbiTZ7fJDfmdwn8KkbqhpEVQY3-ox-1J862Q 432
ase/spacegroup/crystal_data.py sha256=EIwuYZ8uf4eoOwCA8oE0Qno8JCEJQKjlc0TidQeuUUI 2823
ase/spacegroup/spacegroup.dat sha256=itOnH2V4OPUv9O8CASwsxlAtgtZh6jYc5fLuIGJpf-w 204447
ase/spacegroup/spacegroup.py sha256=iorOkejMzVvByEFDo1XI8xlISky5dCzxj70CqsNLziM 32284
ase/spacegroup/symmetrize.py sha256=BLx5sPwIyaWZYt-iU9VkVUmIJrZFbjYBcrt-vRbdcOA 7965
ase/spacegroup/utils.py sha256=w69uj_dwV-k8GVDlUjzto5G3saVRob9CKByN7CxkoSo 6678
ase/spacegroup/xtal.py sha256=aIkNYKvz_SMaE5xARrHa7fOWTIvIKUPW0e1DKrVABzU 7876
ase/spectrum/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/spectrum/band_structure.py sha256=E99SXok4l0a_iEKS0TvFJwXMGa-Hki0xfzc8c__D9Mc 12782
ase/spectrum/doscollection.py sha256=zgdm7SohicMHUBmmuMSYLhNzJB5A-XLpndYzyxF8I44 22452
ase/spectrum/dosdata.py sha256=WS70SGQppvgVNWAhI8ImKlZihTRI9dOlL8071ll2ElI 19057
ase/test/__init__.py sha256=hGrnFPRfBAhr9Dc1YbG51K5FXpxMQ8dYaK7Qnwd9GXQ 82
ase/test/conftest.py sha256=x3yBYaaWjBGPVq_XvJ9t6EJUcL9HLzAhordCg9LRcwo 14106
ase/test/factories.py sha256=uqmwYsQnJWZpJPxBDNybLUSNtEazo48GUFR58GD9pVA 21789
ase/test/pytest.ini sha256=XllmrMgeP_-wcLorGr-oxaOTTBU2lBzFs4cFxt_o0MQ 970
ase/test/test_bader.py sha256=AM_WMKFMMjdxx92Mv6O6S7sBZ5dmif305NnDPVSjmzU 961
ase/test/test_bandpath_kpts_axis.py sha256=dQHQLwpX6kUO26wSYFqoFs6lOAZfGBibzJxGeU6oHQA 571
ase/test/test_basin.py sha256=78m5IYLNxiDq-AxCSV1rO-DDx82Ln5cUzTVi9lljSrk 1711
ase/test/test_calc_outputs_big.py sha256=whzvB3RgaMMMDpvoyhqYMyqo9c53Bp6jVBYFPZp5Pas 3240
ase/test/test_calc_properties.py sha256=lLcDDW1AUtRd_m46KPNUeV0vgqCFOwOJ4UDlRQGBW4Y 2314
ase/test/test_calculator_equal.py sha256=WtWQzEaw6pLy6ts-xhZIJ5h6YB7DUlXZgFca3ToYnOg 2137
ase/test/test_calculator_label.py sha256=3yRaCqqlpvVVAKekYbLIaiDQjneA8X_Nyl2oAD4Gupk 702
ase/test/test_checkpoint.py sha256=gUllUHkUsFtH1VPCgmhkQfs_s4TUCBYp1n4MImq213A 1783
ase/test/test_cluster.py sha256=2zCWfbw4_ZzlWBDOC7IRKKHRWjz5d3eun45m5H3opBU 3044
ase/test/test_cutoffs.py sha256=QnQZR6kCjCsr1d5xWL0ROmMw8n50MAhAbO9s2X-o2UE 477
ase/test/test_dependency_list.py sha256=Qtj4Q0Ej0FhWxbT4U_LFWtfCYuVwtJKjVzYQ976hmag 660
ase/test/test_diffusion_coefficient.py sha256=wwEESYb_naiWoiAD9lrJpdvis7FKFweCrG4z315bJtY 1649
ase/test/test_dimer.py sha256=60eupqpllOq25Lb8zczQ6kt9DDHp5JHWU5qUTJmgpjc 638
ase/test/test_dimer_method.py sha256=O6TxDC3q_hpQoDPRXpXw57v3T7kBAYL50_XLN-uKUhM 1535
ase/test/test_distmom.py sha256=W1ZftwOKUdykCm8gc9E4ok8zdRv7r0X31EDZ0lsueoQ 753
ase/test/test_doctests.py sha256=LHEObvq0Mp7Rg8i4wE8x3X2XlMjLCfpdYZ6_HFeTToQ 597
ase/test/test_dos.py sha256=7NyRVs2wbocYs5iIKWPPVBDw_oANfIRjQ5eHGXPqrK4 1573
ase/test/test_eos.py sha256=XuhxW5axNrbAh4uPDUqn-81BD5amkKf2qLYKcyW19HQ 981
ase/test/test_example.py sha256=y0K9LJNo5ja-aaevpnru9JVxjFt4pVokYLgJUSO8c-g 960
ase/test/test_external_viewer.py sha256=gsywPkOk_i6px65FD6K5oYcwAXZmrONpkXNwSy-neGI 3031
ase/test/test_filecache.py sha256=AtcPepBmX-afjtplhLUhcOhXywGKjAyLWiJ8QtzkZK0 2383
ase/test/test_forcecurve.py sha256=d4IRZ8aTCI3Dd4t71-u4Nf3QsPO7AubsFa-Bot_zPEM 561
ase/test/test_formula.py sha256=i_Umh5On5oc9CjrVuVxQ0D_xUpcA1XGItH8OYZby8AE 2475
ase/test/test_grid_slice.py sha256=Xrp4u3UzvZI9O_VBeq1im_aPjSiM4wDtelR0C6dd88M 1152
ase/test/test_gromacs.py sha256=IRdR1TIoSY2FuaaKsD-3ET8H6PwK-M0JoaujKZQwBsk 2000
ase/test/test_hcp.py sha256=bojgcfiLy18UQXYdH0pJpBaR33VUXV9reY1ytidklNo 2155
ase/test/test_imports.py sha256=y7llWdibwoBBhvTsHHefS6nuPyfuY_bxdpGcBCdzKY8 2088
ase/test/test_isotopes.py sha256=rhIMVWlOGE1w9cpH8IdT7kHJJHlScWW2SqpMDU7AzEQ 1530
ase/test/test_issue276.py sha256=qlSwKdqVdDxuD5VjAcr_3UHUkFdXICuOz5E47VLgXPI 526
ase/test/test_kpts.py sha256=HPgC6WSbaqGMUyj3Csz0P_vbCr3gLmaxfiyRsvpjwkU 119
ase/test/test_kpts2kpts.py sha256=DtOqjLzOYBtZxu7jcyfs2Noy4jqB6mPHmzijldPZzqU 1099
ase/test/test_lattice_lindep.py sha256=W-c0nbOtCU1u-AHR6V5VuuBSYsJPrEiOce3vKE5QMmw 2427
ase/test/test_linesearch_maxstep.py sha256=WL_79CMD-SQmWtAis8_WEC3KcVkPXsOC8I9bEoHnn-4 2091
ase/test/test_lock.py sha256=AuFoWDDrTnbU7zgKHQvlr3JjsGznBjDj43jRsvAkgqo 687
ase/test/test_loggingcalc.py sha256=6TgXLN453UWpKKNIY9EJjPeMdHDNj491P96nLIMXPQg 551
ase/test/test_makebandpath.py sha256=MqppRxtT1DcCllIl0wuIYcfKvp4zIQ-fEdulNCdwFK4 452
ase/test/test_matplotlib_plot.py sha256=sN820nywgtGsKJyVgGxk6csJDCUIVsehqjV-acAOyWY 1619
ase/test/test_minimum_image_convention.py sha256=vvuHswgHIWaxjIHiOfSvJwmx503X_vIl6uUaCWXAIOA 2176
ase/test/test_mixingcalc.py sha256=_PbEP4Qizt6GV8xSoivsfHteQ4VJIj5QChiKfBoBles 2947
ase/test/test_mpi.py sha256=jaRA57xqTFwZzV6yVpwnZGF9ZJz__KpzxHF93J1Qztg 937
ase/test/test_noncollinear.py sha256=gPe6H8qf8TZ06fOgLLO-4id5_n6aW_5KfJbNKPRvoeM 685
ase/test/test_nwchem_writer.py sha256=4dO7KufQ0mzfOQVxXb1GiDPCWnyAomM7lXthN3umPLw 1951
ase/test/test_parsemath.py sha256=pFk_v3ohBvJQT1LnSNm01XXBespnasMOYWyKf4p6Fv4 3615
ase/test/test_pathlib_support.py sha256=93TOZzBxCE1RUiTLzV0EjVQUP252mtbzZ3a1AE64hvg 1902
ase/test/test_phasediagram.py sha256=eUf_lk-bZId74uo4muZfTaP7HbEPvN8XKTYRDSUsjeo 3749
ase/test/test_phonons.py sha256=FSkR-8J7zFkoekjZhjcr4GvbDYn38mwXUtH-ON3OOTk 2517
ase/test/test_potential_energies.py sha256=U8FIsDeZeiwUr0newg7v06ugiRTxJekxjahEttuz2ec 667
ase/test/test_pourbaix.py sha256=Kfa5tcFLrpL9RuTZg2qiymLQ6VteF9B6vz6bPtrHln0 718
ase/test/test_properties.py sha256=6gB6VL4T4BcKBHaDX1_564PDZBQOxLI4JwvvU-lrM88 560
ase/test/test_ptable.py sha256=HmTNae59YZztiiRhnfyWksmjP6p4HtA9creorrYorg0 469
ase/test/test_pubchem.py sha256=Fpu9vsXEVNJrGhWT9SUkXJxUm31nL_af15PkcDsS68g 1180
ase/test/test_quaternions.py sha256=Ku3Lt09luQpgbQ7JNFuJo0rHYlXrAGQg2zmjQsbCIMQ 5423
ase/test/test_root_surf.py sha256=xPqckoVVeCf6qZX1_OK0VExOl7QLm6lr9lVMPSxX9aU 1136
ase/test/test_s22.py sha256=aF4wJdau6KS75M2hrzgpRaoP6NrUJOMEZLKAWx3JSDo 213
ase/test/test_singlepoint_dft_calc.py sha256=Ybk2xYec0pBgtS47C1Jfutdowtvzw__KLeALiM_rTUY 974
ase/test/test_singlepointcalc.py sha256=KmcxQ__fHmwYSkTenMSpbzBCvWlrq2lq7U0DXZ1r8tA 1500
ase/test/test_springcalc.py sha256=iJn7uxrae0SW1pZEfsyYrCikOq4jsKoESk2MtYwzVso 959
ase/test/test_stm.py sha256=c1jcHADNDUG7FmUN9zYC__NyVwml3z9eRjXB9awPocA 819
ase/test/test_stress.py sha256=pNVXz2iBRZ9tF75vkn0Gu_i0CeZRwvXBNIHZTISN-kA 2200
ase/test/test_structure_comparator.py sha256=xbnlBBU7yUMcN27ZTlbzFTHVUtkBZ4JcyBj7H25PguI 10018
ase/test/test_symbols.py sha256=f7LLHaJ3OXu5QbhGFr3pO8BgbnGPDD3snDq2FxVD39E 1997
ase/test/test_thermochemistry.py sha256=Gsaw3Wk6tasXC3OxPw_y019TRrn-x_TpQ-_hkAKa0B0 12793
ase/test/test_things.py sha256=pa5c4KONAA4XvVO7rGuFg2A_PGF5PZLDk42fFZq5DFI 626
ase/test/test_timing.py sha256=1JGSGKagEJ3XfzPqm_tEETDeuimue5S_rUYqpT7mLpM 475
ase/test/test_units.py sha256=j9Y8CU1ZTPES6KYngQVL-1lQ9msSq8Yiwo72dQ458G8 765
ase/test/test_util.py sha256=ZamIxknvZk-hBfSJQJPABEl4H0k6SD7rP7A613C58Ug 5615
ase/test/test_versionnumber.py sha256=bIbw2_H2Dt5Ibs3xUnJLgq7wUNCUkEPYKZLWBJwemU4 1772
ase/test/test_x3d.py sha256=0IOEzal0m2sabWI24AdV3a-IEHJZimmRQ09mKxphbik 267
ase/test/test_xrdebye.py sha256=e_Isv2546LN6RqyIWLtWVnu51nKHvCnUpora1jZKQLg 1556
ase/test/test_xwopen.py sha256=tKeSfOGToMmNbwSr78JBddy5UawSXd7YO4F34cqdTUo 647
ase/test/test_zmatrix.py sha256=d_ACCbibj0H6OvrrxDS-y9sRfpVuKqihcqBtG_pI9b0 2275
ase/test/testsuite.py sha256=OKKyeA2PtRJRdFUPNAYzQUdSP8te8ii1tg-13n64-K8 6960
ase/test/utils.py sha256=NZQsPSjFM8A4Ddi_5fBAe7lTMNriWMjdKlF1tmkFYvo 313
ase/test/atoms/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/atoms/test_atom.py sha256=YMW1Jng5L2ggYtnX4v39emaimWKAzTP5-uX9F-Mnr2w 847
ase/test/atoms/test_atom_scaled_pos.py sha256=NyYrA6c9VriGVPCXOYRBLn-kHoVl1Qx5uOfOgtHemBc 1262
ase/test/atoms/test_atoms.py sha256=moOU3tC6wKFRfx0viM22hHXOr-8sT03JQgGVAXSC0_s 2372
ase/test/atoms/test_atoms_angle.py sha256=uvJj-V6QJeDKfsxl4h-lz3ub3H05C8IEud90L9JT6xo 1650
ase/test/atoms/test_atoms_distance.py sha256=uwydqrRUQ-3CEXSElmgf6HprmZS9qDU7DUq-Ujcpu1w 2332
ase/test/atoms/test_atoms_formula.py sha256=tXmBLsDI3IeXpBdXINeKaPdx-KfJvMohxSaWAi1MYcU 1385
ase/test/atoms/test_atoms_get_duplicates.py sha256=XO21_jA-Y4HYiPdxsW42HV9W20gj_csnMtaqPSXKjSk 901
ase/test/atoms/test_atoms_get_positions.py sha256=suVI0b0oiL1SQ7iYO5zCd6kYmxOjKdZeKf83FHrRPfM 569
ase/test/atoms/test_atoms_getitem.py sha256=YJ46_fX8_MGVqkQ3Pdh3mc6dlk8Y681g8R76q7zfNW0 1321
ase/test/atoms/test_atoms_indices.py sha256=pWGdLaS466RPleeCFJa3uB543INogv0a-NW6IvcSXWU 379
ase/test/atoms/test_atoms_info_copy.py sha256=RczhNdar8huG_FNw1DDsOZJG9BiiwcJuJ74IVytfOYs 257
ase/test/atoms/test_atoms_instantiation.py sha256=QEwh2ZNdgk9xSnmYatLUHOOWXmyK03oG_eME7qD_nxw 1373
ase/test/atoms/test_build.py sha256=f4BqVIpDwOArENAmTCqR0S_JjpqDwmKktJPSthpaUxg 616
ase/test/atoms/test_center.py sha256=0DPJHI_LFSSYxt_x15301PGBeptzZ9n19uPzp7z49J8 4713
ase/test/atoms/test_center_nonperiodic.py sha256=foK5cYxrm2D3IykuMqV8Bsz6DsfeJrlpzJFXh3LZyiI 756
ase/test/atoms/test_compare_atoms.py sha256=unH1iI-NCEk3mG4qeOqeLFpEBrUwSPYfSQY271l4AVQ 2103
ase/test/atoms/test_deprecated_get_set.py sha256=2hssdfRcgE-OJyH7jKcbk3wSwf0j_nhpsTvNBcqWMmA 633
ase/test/atoms/test_get_angles.py sha256=l5rIHUR0EvNOXzMyLjhjcpIIR3sa2Mg0lKXErECq5WU 412
ase/test/atoms/test_h2.py sha256=Ps_eGVk3rqBa42YHpJL4EycLw9OPdolNx2kqs4mpKn4 284
ase/test/atoms/test_mic.py sha256=OLTKXuII0Ymy8Soqmd5xsxQUc_owm3wRMbg-dPwGlhg 5308
ase/test/atoms/test_momenta_velocities.py sha256=znYzS0mGi6CKcySCiM8kZnvhLy-iLd-2Ib-S8G6TFmE 1070
ase/test/atoms/test_permute_axes.py sha256=MsdnxhKh6yhZTKniRUXPiR9_AcIcW5axwbZTVYE__d8 1190
ase/test/atoms/test_rotate.py sha256=XoEXBF3-MTKkMRSPj4cvhebRZ-IIHw_A7Dln3BRkWRM 729
ase/test/atoms/test_rotate_euler.py sha256=aHDPdLcHPgPDa2BgLUA4ty_zHpxyIgbDYGVNg18vNM8 382
ase/test/atoms/test_scaled_positions.py sha256=NhegmOGuXrgza0n_6ohA1HbMAN3XeD5nuVO2R1-afME 153
ase/test/atoms/test_set_get_angle.py sha256=v6Y3H5eEt2shzShTeL6HIBx6W5Vek0eqsd2Lx9WGPPw 473
ase/test/bandstructure/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/bandstructure/test_bandpath.py sha256=uoA5oViF1KCVk0e_1IxS2PwQYvD74FVq5To2vZdqEUc 1920
ase/test/bandstructure/test_bandstructure.py sha256=koKZcSLwfn9zrCAi6QFCKC-P3BDjE21gCs5xAZFaKao 1152
ase/test/bandstructure/test_bandstructure_json.py sha256=yWcka8lFJWmlVAX8mAvqsFJmoFNLHvhIPRvnDKuz8yo 707
ase/test/bandstructure/test_bandstructure_many.py sha256=YS7HjJQtUJfzUrnvArb4MXSjhCcryOBO13GAFES1yDw 830
ase/test/bandstructure/test_bandstructure_transform_mcl.py sha256=Gm9fg0heViLWpA2bN9seVNQjhP_Z1_QFV8d4mb5ADgE 1485
ase/test/bandstructure/test_resolve_custom_kpoints.py sha256=T7v0quTNaDWWDrsnU5toYOIslQELwmHvNhkY-wRNBD0 1031
ase/test/bravais/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/bravais/test_2d_cell_pbc.py sha256=vGsMATdP7lSKUsOvdOMcNnrnI9TcsbdQidnTEeQFkQM 1437
ase/test/bravais/test_bravais_type_engine.py sha256=en8mQsdQtqA1WczpOhRf3uWEfNcDnD7Oilvyy6cUdMU 787
ase/test/bravais/test_eps.py sha256=ccuSbnP-E61YuRgW_iL9DN2aU5UuuFO0iAeDknaUB2o 1834
ase/test/bravais/test_hex.py sha256=OVdbuP2Hl8ezFO5BdSBI5iuspazDbD4IlcqD9xZMxnQ 438
ase/test/bravais/test_lattices.py sha256=qQC-8R3bz7ersUcJENVzCIombEzmSmPtE4Lraa3hWZY 1413
ase/test/bravais/test_line_lattice.py sha256=8mTkXywFcV7WFaS6WoLn35kQ5nxZr8KYscnF_pvuysA 315
ase/test/bravais/test_main.py sha256=dR3YrcMoa2MBPE4B1KtjYoql8JzD9kGcd19Zgi8t8OU 3833
ase/test/bravais/test_orcc_mcl.py sha256=Y5VEVyUQLlbUe1QkKVpzrST8x8erMGAfy_FBuf4FGLc 1170
ase/test/bravais/test_reduce.py sha256=rwkMoKvu_ISEg4kSSo3ukxIx6oU9SuLNUUyu_y8raxw 1092
ase/test/bravais/test_standard_form.py sha256=jp9WLKz5zHn3evthYeDX53MX8iXzh4332KUQH7LCT_I 1210
ase/test/build_/__init__.py sha256=LE21KWY6zOq7PHYK2ctJFM0EoZXvuNk4UTAF6IA-s9M 99
ase/test/build_/test_attach.py sha256=IU9_WkSgfG3jr_1PnUq4eVn7cQBKH8a2nSfvCEw4ULU 2623
ase/test/build_/test_build_bulk.py sha256=axsPy1gN2xavcDCyzJHeHhUmHCLm4Wlzyu8TmAUezRs 2344
ase/test/build_/test_bulk.py sha256=SnmalQJPhpdY4lxN2pwTfY9jrmP7-3_9m_YT2JTStAw 3604
ase/test/build_/test_connected.py sha256=tn2BLIM3qP9CjNS1gfdWyjvwe3TMqhYJNCG0YQE9Yhw 1867
ase/test/build_/test_minimize_rotation_and_translation.py sha256=nZYNg3MRFok0kadXOdqJ2dqtfoTatZG-m5w3BcWz8m8 1226
ase/test/build_/test_supercells.py sha256=9kheu2sWfFdOTUZL17QDfEBzs8xoMy09BS55OgaGf6w 2437
ase/test/build_/test_surface.py sha256=iOJtFKJepdwZrA16ezEF_k8xilQew-b4WGPbj9fi48k 1921
ase/test/build_/test_surface_stack.py sha256=sOkSRaYJSg1tQm1WXMRg_I9oXISj3oARrPOGWzIfTN0 1168
ase/test/build_/test_surface_terminations.py sha256=zw5DkRiGnTAoiN5OHf_mSJzu20xMIiBMs3YleRMNv4Y 1302
ase/test/calculator/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/conftest.py sha256=0Hn1YIADKo8pi-Spuy9bXDXz1N-kLIv6bckS_8l6Btg 927
ase/test/calculator/test_al.py sha256=UhVXsx7P_JdvoQo2zBeUg1zGMcXdDzffsBlHfCaFFjY 1212
ase/test/calculator/test_bond_polarizability.py sha256=hOjsjw3RJYCVdii11AQ4B909vZ0hUIbQJbkJRERD0UQ 1212
ase/test/calculator/test_calculator.py sha256=gk-76bQWdwKdUa15z7Jo4onJ4FJnp-RE7MNjIBYnWQg 2068
ase/test/calculator/test_ch4_energy.py sha256=hux2_zfVpSfSWs7ymn6yTxs5wgnoG7Y4onY8C2z7b1s 1389
ase/test/calculator/test_command.py sha256=uqx0-_fe81v-a2qlZ9i3Qs8jN-AVkPbt3BVOC3WIJ8g 9529
ase/test/calculator/test_dftd3.py sha256=CMhJLLitpKUbFb02YtY0w3v05E7vFSB7mybWv_p_6Oc 7452
ase/test/calculator/test_eam.py sha256=6_3HnP6ZaKvGCZq6WxMvFA568rHvmTZQE3-VgiCKpAU 3265
ase/test/calculator/test_eam_run.py sha256=zAHoo7DDaK-LrUxsEe8X-Uih9MeGIRqk6_Ck8XxtAC8 1110
ase/test/calculator/test_gulp.py sha256=H4c6WJ2l-YU4azr6FdBKMwipO-reiKdfxdcgI0UTgIE 2910
ase/test/calculator/test_gulp_opt.py sha256=9bvwS1Caxs0OFrZwCU3Ws_har8uG2aFbbRmM_JPVyZU 1315
ase/test/calculator/test_h2.py sha256=4qAbvyf2MWwLF-r88Fc1XBmiPNXSqsgz2ptCQeMh5dI 1147
ase/test/calculator/test_h2_bond_force.py sha256=SvA-yJ7KPtVGuGlIHwBsXLL504ZS-_yavEpFZFqk3iM 1634
ase/test/calculator/test_h2morse.py sha256=vHxmQKpG6Ac2l6LYwmU-vLsBzSVH1O6CAsR9YRt2Wg0 2804
ase/test/calculator/test_harmonic.py sha256=JMdP1JJDdnIuwFRtFkw-K0C-VTrWwxYWRO_6XECqGVQ 12572
ase/test/calculator/test_lj.py sha256=YjyXxcGXZCcj9P-PHlb0uXwn8d9Olt78i3WjApVgz1I 3634
ase/test/calculator/test_mopac.py sha256=Mw4xjkUK0yQQnaG8Yk2QQCNFLejL292EyYk9PG4XiDA 1943
ase/test/calculator/test_morse.py sha256=YFdH3q9SPB3V_r2Gd8oMJXVabQjY8Fv4YpSfLJbcheE 1191
ase/test/calculator/test_orca.py sha256=eNjWRiZm3GDlK-9LYqo1gK6iK4mM9XsQnKuzbbkcrrI 2789
ase/test/calculator/test_orca_qmmm.py sha256=QzVRDgW8cprBrLfV2tLPrPQ7vlfJOHBIscNBL_Jn1Jo 700
ase/test/calculator/test_polarizability.py sha256=XLMC6pLhPW3L3eV-1SMBpr8uf7HvTkSI_m-t6qdZJkI 801
ase/test/calculator/test_si_stress.py sha256=kNTi6Iq8ySBktA_g8dFHeOcWzB9G_D71wtXGDvNixyg 1123
ase/test/calculator/test_subprocess_calculator.py sha256=2LtBFCR3n_9ETSFjoEdJi0Ejqh-rRJgjltDfTbRpwMM 2884
ase/test/calculator/test_traj.py sha256=pJY55w_n2wqrrKOZGGYRkYbyH7HHm5lOd2Kl6MUWSsI 869
ase/test/calculator/test_ts09.py sha256=97tiJs_Lq8iQLf5DyBOiNXh-iMmkpOnaudFWDUo63w4 1991
ase/test/calculator/abinit/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/abinit/test_abinit_cmdline.py sha256=32FzqzofWqgwIaf7OCvgK3ld1i2qIKiADpUP7O93a3o 276
ase/test/calculator/abinit/test_main.py sha256=MmAt8WOomKIZ33EoUjAGi6ZZ8-Rtlm-UK-JWRpsXQMk 3375
ase/test/calculator/ace/test_ace.py sha256=8_6NKMdh_ivG2ypcXDsmhLolpXBjnvfmOMEKyTnHZNE 311
ase/test/calculator/ace/test_ace_calculator.py sha256=c_XhClNWz0N8wJWTmcZTDjySVUujme30OaJ8avvxpDc 1678
ase/test/calculator/aims/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/aims/test_H2O_aims.py sha256=hNsZ56v-RS-18Or2dMC7sVLVtXzok6HhKOLK7qRs0lo 795
ase/test/calculator/aims/test_aims_interface.py sha256=sXB_DXBbg3IgG9Z9AhsXz7Zj8xiN6ihBGRfV6IcHyqY 3791
ase/test/calculator/aims/test_version.py sha256=0tdsQIN6z1_WvDQ5kanT84K8fHa07PQkMPkmm77L7fI 292
ase/test/calculator/amber/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/amber/test_amber.py sha256=EIFBH-suhz3DkV-BKZXSbhjSh8KmgdptQxYhSnhSx8k 1462
ase/test/calculator/castep/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/castep/test_castep_interface.py sha256=nCKX0IEv7NHb-GUrq5gZEnBFry9LH9IPDBFxb0fKa1A 11723
ase/test/calculator/cp2k/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/cp2k/test_cp2k_H2_None.py sha256=V7XKXSthEP43hQMPOh9t_oCLOjuB-v4KBHRmjlW7uQk 1378
ase/test/calculator/cp2k/test_cp2k_dcd.py sha256=q1ccaq4TeouKHNovICiqIxqeUXRDAqpo-7l9OqDxBK4 2202
ase/test/calculator/cp2k/test_cp2k_many.py sha256=1tP_-PJqp0xLoFwSOp2Z18b-uxOXbvulDN8aecbr0vk 5166
ase/test/calculator/cp2k/test_cp2k_restart.py sha256=DHRQZB62I7WPLvQ-BlzqoKRfIRMlJ9LIhN2t9bW8QgY 1141
ase/test/calculator/cp2k/test_cp2k_stress.py sha256=UorHkpl_mGOzQWHGIXJ4j5LdnjU3B02x865uPvPpDlI 2893
ase/test/calculator/crystal/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/crystal/test_bulk.py sha256=_jI3icF_sq-Z4s5Z2y4XOPVKjf0NM6JiSR3T0sFk9KM 1127
ase/test/calculator/crystal/test_graphene.py sha256=lFzMD0isMGqOCFKuzuwKauxFscW-uVQ7GSCKy0dKLSY 1269
ase/test/calculator/crystal/test_molecule.py sha256=DAyLWGfJ1GIixF4cAyjnElxpb_NepSAocrrTEZQE5zk 1032
ase/test/calculator/demon/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/demon/test_h2o.py sha256=wdXoZ76ze-R51f8U27qKoXk3dy2cjsGhyk86kKUc_pI 2931
ase/test/calculator/demon/test_h2o_xas_xes.py sha256=0XaGockJntMg8yyFPrhXVtpNPa8Y2H--YfsxGN13lqE 4902
ase/test/calculator/demonnano/test_h2o.py sha256=xZ8e8Ish5SQcCAMunz6q5dKPOY4wgvCZyTdcl5kYuDM 1788
ase/test/calculator/dftb/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/dftb/test_dftb_bandstructure.py sha256=oW6PETM-TDa7vMsaNco9S7XGktgskKGJLaAxdFD9LWw 1645
ase/test/calculator/dftb/test_dftb_relax_bulk.py sha256=0W8J0HbQbxBCup1xn8fs1v2VqglrbuwFXWmoGTPsmjU 641
ase/test/calculator/dftb/test_dftb_relax_dimer.py sha256=1cKnFTzsHGdORmmNLSPbtNVxpeUzK0r2CBQnrBoKNZI 653
ase/test/calculator/dftb/test_dftb_relax_surface.py sha256=yVBB7keSP2qcbBip4B7kJ6ceL6M6x_Uajr3e2pnn-X0 825
ase/test/calculator/dftb/test_dipole.py sha256=eaOmBoQbpr-A4oygxZwEfQsyoKE5YOZOGjMBwNszt_Y 337
ase/test/calculator/dftb/test_xtb_static.py sha256=jsu95WmsI9eWkxVHaOJ43LisiqDOhctKc9kWvQjKnLA 374
ase/test/calculator/dmol/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/dmol/test_Al_dmol.py sha256=71Vs3x0Ldw_7f_RQTR2W89NA7ooDNeWyTcIZO0B6c4g 220
ase/test/calculator/dmol/test_water_dmol.py sha256=j4gu71UahuDJa7zfylaRnIx1o-XHF1403fWADnOLTw0 232
ase/test/calculator/elk/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/elk/test_elk.py sha256=ckVqhibvNvBM_K2jdZLMhOgI48hAAZR9uyoylrXGVt4 1709
ase/test/calculator/espresso/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/espresso/test_espresso.py sha256=8xAKikk1F_NGZ3Cp4y-KopkBlwBXemwD-cOM-BTJxm4 2590
ase/test/calculator/exciting/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/exciting/conftest.py sha256=ZSZV83aalYwrmBeUaohc17BKwFRcPCVq_r7lDKJaHkQ 180
ase/test/calculator/exciting/test_exciting.py sha256=cw0F636ds-eKsz3LC10qiZE5sbs5X9wDwmfmznWW2fs 14409
ase/test/calculator/exciting/test_runner.py sha256=izlJd3XjaojCZamy7be0-Qhr3xa4EwG_zF31TjMsDkg 1875
ase/test/calculator/gamess_us/test_basis_ecp.py sha256=DSikUe0vKVk4_w8ubgBc9bSSPCJdzrqw7w3FeVNE4oo 2630
ase/test/calculator/gamess_us/test_gamess_us.py sha256=aTtuQp5z25fmJyKq5lBGltvhPimJFiwP9f4XA5T4LsU 1084
ase/test/calculator/gaussian/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/gaussian/test_h2of.py sha256=v7By9Ju4kUHJaQpKM8cfdrWkG7CKtfjoBbdMHnee8RI 2472
ase/test/calculator/gaussian/test_optimizer_irc.py sha256=kGpaHMipB0iCSusyVpqJzlgsM1tRWYrhTMxpLSlmKJs 1942
ase/test/calculator/gaussian/test_water.py sha256=WeVDPrL7Vzq2NBGSfxbF9HldREgCFhHGG-OCAz2MiZg 1129
ase/test/calculator/gpaw_/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/gpaw_/test_no_spin_and_spin.py sha256=DDnncQf1gEVGzbMFLB2xp05jmlFOwl5yan_e3YNCHxw 754
ase/test/calculator/gpaw_/test_read_text_output.py sha256=GvntMrCfnrIh6JQJTMlzmXjvjbfSVuUGWzUB5K42R9s 653
ase/test/calculator/gpaw_/test_wannier.py sha256=EP8hLEtRQcfkiynfetskxri-ckyCnXqulxpwA2NbZFk 26516
ase/test/calculator/gromacs/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/gromacs/test_gromacs.py sha256=YkLsav9FTIt7gggBEBc2Ppu4c6gqqmRykJ3WHZnGLtY 2811
ase/test/calculator/kim/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/kim/test_cutoff_skin.py sha256=MyVVPniug_ZCqg6oNDbse9ooW039YrL0H0n6WQT1sjM 2468
ase/test/calculator/kim/test_energy_forces_stress.py sha256=iB5tpAd5LamzfcTwB_Bce1HAR5nK7stiHCCf042AvYM 1611
ase/test/calculator/kim/test_modify_parameters.py sha256=1PHpN7gn8HkcIu0PQXRLsElv_k3-vOg2nG9zcyytaTw 2136
ase/test/calculator/kim/test_multi_neighlist.py sha256=YyoC2F4lDcNZD1J8Z-sI2fK9sl3KKLpXTcnrKQiZqKg 1600
ase/test/calculator/kim/test_relax.py sha256=Wv5yYg6nLsotwa1Q9Z-R_0UwydMWxaBk1-X1dbNubR8 844
ase/test/calculator/kim/test_single_atom.py sha256=cYfV0V1KMt5mT5CFT_HZ3cfX8pB7dEJA4qg51FDp3Zw 774
ase/test/calculator/kim/test_update_coords.py sha256=cep72iFMx2eNP15TuTtwRLjiTKUM8PJ_eICPtSSFt3Y 4809
ase/test/calculator/kim/test_update_neighbor_parameters.py sha256=rcEVICcjginGAdDVBqsIXk816HuP2oS_PegTYWAhu1s 3168
ase/test/calculator/lammps/test_prism.py sha256=Fpp94prgTLnD7tq61wyGRdLrHCcI36hrVVXI0Uwpvos 5198
ase/test/calculator/lammpslib/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/lammpslib/conftest.py sha256=vz6XZDjaziMOQl6DG7irYnTNrXLjTgBdeMb6J9RNykw 647
ase/test/calculator/lammpslib/test_Pt_stress_cellopt.py sha256=lIO9vYmMm8RUq-nhUg0u4hD2Wq591hS4e8o3KADUmDc 1455
ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py sha256=OXXm8QJgyJ5DCwYl4PuFVThoumpuWb4RbCRmDSAvugs 1133
ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py sha256=fK8lclf4eoE4LVAtApwUK4otISIVD5gbGp8lnkKKzwo 1309
ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py sha256=_0UfI46w0NW9k0KdGmQvo0ECypIxuLuOOZHIP9u1UKY 3954
ase/test/calculator/lammpslib/test_lammpslib_simple.py sha256=DvVS-NB7ghdhAiqOrVtDogNYvMq9OsXyDDObdcorDaU 4230
ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py sha256=zg9c5yEEoTHB_XZs1a91CDmX6IVTWgi6D6uDcMMyOw0 1187
ase/test/calculator/lammpsrun/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/lammpsrun/test_Ar_minimize.py sha256=RBQyv9d5AjzBCX8kv82_EAk7jdH5BcTQTEcZrUviJk4 2558
ase/test/calculator/lammpsrun/test_NaCl_minimize.py sha256=JfvTZy_6zC7Rdb17JT6qnt7ZXBIj9CoMfz1YEYy52H0 1717
ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py sha256=H8kgpS2bHh1kNGzOKU2NS21WCaecEmZ_RQPpOLFVeOY 1786
ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py sha256=WHyjkqJDiwvXOKcCEniDYSrjlLuXgxvo8Q42804XJPM 1480
ase/test/calculator/lammpsrun/test_lammps_units.py sha256=RWHukOJ6FjDXeGXVpUTlpTkRi94gpLh12ooXNnRC8eo 1150
ase/test/calculator/lammpsrun/test_no_data_file_wrap.py sha256=XOjpm0JTxzrcI38iDpLl1L2_z4LEkVJq78rv0t34Di4 1610
ase/test/calculator/nwchem/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/nwchem/test_nwchem_bands.py sha256=nXXtDiS53aCbybnDZFi7-L1kTsp0N4iy1PfzbfKVjUw 373
ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py sha256=TNlE_EllASrKRAumZtiJLgMFqyEm7YPUAC3Kav7SIEY 1873
ase/test/calculator/nwchem/test_nwchem_cmdline.py sha256=mjw4gYWcsNO1TKL-uUf92MkV4euD5KOC4x3-h_8ePkk 957
ase/test/calculator/nwchem/test_nwchem_eigenvalues.py sha256=SorEahGCPV1o7QzUC5PAlu7zul55zGx1TF69CkwOhTU 823
ase/test/calculator/nwchem/test_nwchem_h3o2m.py sha256=3urbWaUtd8qmcEizRie8IzCqhZYGb9e-m8baqBRTwlc 2098
ase/test/calculator/nwchem/test_nwchem_multitask.py sha256=4iByETb9u0ZRkfWSP9x81Pbmr82OKj_LiG0eOGRjcmU 2499
ase/test/calculator/nwchem/test_nwchem_parser.py sha256=jxOuShs5a2-iA3jkEL4gD4aH-uRPSNL__nfBC7cOCVk 176
ase/test/calculator/nwchem/test_nwchem_runmany.py sha256=3Z4Vnfp05kvjLDfscECen17tLdInVLSlnybS9eJUn7k 2507
ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py sha256=Csku3M4oKda9P567y_hBqT_EOtCb3AYZN0crEhdanjc 862
ase/test/calculator/nwchem/test_nwchem_stress.py sha256=Ey1dFBxAHJ4Jy8aOi6KKrgxxLCilztGtGRyP_b6S24g 498
ase/test/calculator/nwchem/test_nwchem_version.py sha256=fWez0OE0ulZodgbXTEKumuTFMnhT3MXGF2qp2yuVH34 180
ase/test/calculator/octopus/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/octopus/test_big.py sha256=Xe8kvNlEyYDVLElmZtpRSkcTBtVdqhm8OqCoBdpmLCE 3036
ase/test/calculator/onetep/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/onetep/test_onetep.py sha256=aBfUb0YGsPGRkNI70cUm-6hZwhaMt7VoZ4FX8u8bvBY 994
ase/test/calculator/openmx/test_md.py sha256=7M2SK-Me2URu5jlL8o8kCumRuFkoKhwBcKoPv0AqbWA 1464
ase/test/calculator/openmx/test_version.py sha256=NJ9t_Vl4zSMrRuDpumrtejgRf-RCYbYB9XO2yBnhRUc 424
ase/test/calculator/plumed/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/plumed/test_plumed.py sha256=snSO1R9rv4RNZfXiNKWURd1LMMEX_1oB0i6aEn6QVFg 9682
ase/test/calculator/psi4/test_psi4_HF_3_21G.py sha256=cm-CecxQ6bpXImOlyIJoLrmQdyOI9mVUJBzWg5Co0C0 1134
ase/test/calculator/qchem/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/qchem/test_qchem_calculator.py sha256=5rkev64g7myR_DDTuHqSDc8z7INUgnuF-KBd7D1C_Oo 1051
ase/test/calculator/siesta/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_bandstructure.py sha256=-CbhZqp5-oqcyz-KYC8UqiAo8bL8Rk3BUcDGLsbSrrU 404
ase/test/calculator/siesta/test_dos.py sha256=X2AI8W5QT9_McOTG2ch2rkMRkGLIcEnDpEDVLyYzxRE 289
ase/test/calculator/siesta/test_fdf_io.py sha256=ZVMxgdFdcxqCVCLZuSnSMGIUed3jjxXe7QdHCyK1PoQ 535
ase/test/calculator/siesta/test_siesta_read_eigenvalues.py sha256=eqLNEIT90Ru6QZvI1t-MOXrGdv_yY7EBNj5F-6W62Gw 966
ase/test/calculator/siesta/test_siesta_version.py sha256=km7PT2TmnaJ7Ybj0FBWYj_KKWH6D_KYRTOXG_W6dlQE 1070
ase/test/calculator/siesta/test_siesta_zmat.py sha256=aQrIxP_1TRxBWI3nHSEeaa3DG57uM8-8_pKk0iOkLq4 2691
ase/test/calculator/siesta/test_write_input.py sha256=LBNV5s0TtJnoKWiOBlbOwUs3AoA1hK7YaODB3SjNIxE 4532
ase/test/calculator/siesta/lrtddft/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py sha256=A-1WnpPkQ3aF4zERtGPoVu-OH3TLxcTl_Bie3AFy-vA 553
ase/test/calculator/siesta/lrtddft/test_siesta_raman.py sha256=XOYmoxKqv8V3vwjdO7yK851hB5tKRaf7BH4A2l_gVxQ 1000
ase/test/calculator/siesta/test_scripts/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_scripts/CH4/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_scripts/CH4/script.py sha256=UxWC6GIyYCu5gE2D8R21RAky9MQq05fpY_DuWsjHfFw 1339
ase/test/calculator/siesta/test_scripts/Charge/script.py sha256=h6PBl5t8YcDAjWJ1pFpHxA7G6RkSnDcs4xYiwdnr5ik 767
ase/test/calculator/siesta/test_scripts/H2/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_scripts/H2/script.py sha256=TDTL1BGEHROmPspudDUMFMhc4uKxh5LLdgejJDeQg-o 614
ase/test/calculator/siesta/test_scripts/Na8/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_scripts/Na8/script.py sha256=TUymi1bCDKeifRf1yCeLq2YZVKP2cQrDIWPdfB6i3pc 1409
ase/test/calculator/siesta/test_scripts/Si/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/siesta/test_scripts/Si/script.py sha256=SZWyqlUZnbalZ6YoCwZEdH2kYqoYxa7p_kKz8C5i928 789
ase/test/calculator/socketio/test_h2_stiffness.py sha256=hVAhT63DRxF2QTlHDuzjeO7FcFb3-d9yTyNvoaQlgE0 1501
ase/test/calculator/socketio/test_integration.py sha256=iR4LCzV2iv9tQ1YsWrnb1lsnfahWwykKvuSM8w73jpM 937
ase/test/calculator/socketio/test_ipi_protocol_bfgs.py sha256=WzGPwQbDbG89GyrdbEJAvPVLSmAvr-OqT2dhB1e09EQ 3381
ase/test/calculator/socketio/test_python_interface.py sha256=Gva24i40iPT4agInjaIhAs8awVJnHZBmx3nLPJAglk0 933
ase/test/calculator/socketio/test_socket_io_mpi_line.py sha256=q5oqTzmBiaMZWPydaGd53-Q6WOZ3koycr0aOZP3Iwwo 733
ase/test/calculator/turbomole/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/turbomole/test_turbomole_2h2o.py sha256=S5cX5ir71Y3vRnZh2OAnstUZp2BXu6SGc7Fd010N9s0 3026
ase/test/calculator/turbomole/test_turbomole_H2.py sha256=c6BKWuxJss-oIr0Tub3LgSTktsxfiBuA8NXHnN2cGN4 1336
ase/test/calculator/turbomole/test_turbomole_au13.py sha256=TycfStbGzBnfzr8NTyZ-gGseSnJE20vOKGfPV_xEDoo 1889
ase/test/calculator/turbomole/test_turbomole_calculator.py sha256=i48mkW5wKHM33PV6R_tWEvgUGNtxx1MS5P9GiCh6XP0 1124
ase/test/calculator/turbomole/test_turbomole_h2o.py sha256=20ufmHZM1dFFPBnee2tG-XSmvhRh8NbV3_Ss766tk38 2443
ase/test/calculator/turbomole/test_turbomole_h3o2m.py sha256=eP9dr5co7_2w8IKl4PJyJjATgW3MX7ysQdF6rvqbq2w 2232
ase/test/calculator/turbomole/test_turbomole_optimizer.py sha256=ujq13JzMeb2TLJXQeeu_vQgQvXwVA2KhIa4atlJNv0s 914
ase/test/calculator/turbomole/test_turbomole_parameters.py sha256=khj4_j-hYLY6OLTonasytyyTQGvf68AEFKXetE-a4ls 3773
ase/test/calculator/turbomole/test_turbomole_qmmm.py sha256=vLa6TfExX3TH2JqtHruXamWxPfBDgpdSzmKaQCBFJ8w 3036
ase/test/calculator/turbomole/test_turbomole_reader.py sha256=ZewlqnJf_tvabV6c0OYcLqPMkMyI9HIBABsgvs8SXpc 2459
ase/test/calculator/turbomole/test_turbomole_statpt.py sha256=fLBrGAcT9FyDLe3wK9Dc_MfY6H7lkmaAt0wwT-R1Oqo 2153
ase/test/calculator/vasp/__init__.py sha256=C_CDIZHmTpsRVkejgA8oPbbLloIjM0H7GfSw_9WVgwk 546
ase/test/calculator/vasp/conftest.py sha256=-CSNMwzjOslmWJJtND6aEp4WjXIo5XJU9quEf3kZQoU 1757
ase/test/calculator/vasp/filecmp_ignore_whitespace.py sha256=ac63jgl0yd6ma91Qm6bO7s-qiaJOBZNtw_5LW9zvubk 717
ase/test/calculator/vasp/test_vasp_Al_volrelax.py sha256=T6Pz-4peVnjRncUCDYDdI2TKnbL_DdVUbK_I0jn0szs 2470
ase/test/calculator/vasp/test_vasp_calculator.py sha256=or3sWY4PnZsXsq5W_tlGWjpv-T76MMiRDVS2ftyX0gc 7571
ase/test/calculator/vasp/test_vasp_charge.py sha256=X_OB0IJyvv9nuz_i3ooDLnj-4AL32s-0WkCLj5dfwvY 3582
ase/test/calculator/vasp/test_vasp_check_state.py sha256=GOTZ-bK6CXp3hDMEkMEhPI8LT8qt_VsOIRFywCCywfg 2194
ase/test/calculator/vasp/test_vasp_co.py sha256=AITCKOfnlBkgra5_QsCpUqce2IVg1895G1EeNzYg94w 1888
ase/test/calculator/vasp/test_vasp_converge.py sha256=22B9cIIUBB-JWOq9HlLBWzkPF3bwH_O0dsb4cRICpN4 1253
ase/test/calculator/vasp/test_vasp_freq.py sha256=C0gPliW_uWBpWDWS1ij-62_z65ebwo9VDdCd9F5PO78 1623
ase/test/calculator/vasp/test_vasp_get_dos.py sha256=5689LyljgFTPJ50XSlRqDKX3333Sk9B95gzLOHwo2h4 863
ase/test/calculator/vasp/test_vasp_incar.py sha256=m0csCPkV1NUsKSl6ngwoK46n9rHAdUBGL-y4Y0zGm1E 3678
ase/test/calculator/vasp/test_vasp_input.py sha256=WpG5GZjBTjTq91lfuq5X77khTDHNo0bdQUOw56N-8MM 8958
ase/test/calculator/vasp/test_vasp_kpoints.py sha256=C5u3kmJjnDi_j9j269C7HcsJINGarGZR9CzKJc22wrM 4114
ase/test/calculator/vasp/test_vasp_potcar.py sha256=M-sDJmFMh61wQ2eHtcFGl-zjqTQjYVReqUb8avYB7q4 1639
ase/test/calculator/vasp/test_vasp_setup.py sha256=H7LQEf1VatGmfvC_TyTG8lLpznAI-Yv2tFnxgbh-qhY 2478
ase/test/calculator/vasp/test_vasp_wdir.py sha256=UP3dSbJ0kNfVAA2jiiS8kHLHMR36DSrtjt9NkSkVqlo 2381
ase/test/calculator/vasp/test_vasp_xml.py sha256=ggMeg0pfh27MrbDXPnP_na2RKx7Gul67KAuvz2hzu1M 1927
ase/test/calculator/vasp/test_version.py sha256=Y5gl40OpG6xrjdc0JxnwJ2PSBiW0XbjWP_FcoK2-qb4 371
ase/test/cell/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/cell/test_cell.py sha256=ar2lfBA1sA1muGCKUhj3t4D-QxjGWEBMHuljgYkpUfA 2827
ase/test/cell/test_cell_completion.py sha256=Dmw97ZALQQq8HQ9qh6hOzQcQsCduDVLXWmz1V2bKVcM 665
ase/test/cell/test_cell_conv.py sha256=9IxyMLh-g9640LUZfgGllQsOz5Mg-vWr-5QUlRGh9YM 2588
ase/test/cell/test_cell_uncompletion.py sha256=AalF-gXxeE9A6BGFyr44eP-Fdf5qpF30gaknkqMDmxk 632
ase/test/cell/test_conventional_map.py sha256=zeobG6z5RMIsIBkR5OoeRdypD0ijVUYo8xhvMtMQacM 995
ase/test/cell/test_minkowski_reduce.py sha256=3FTlpDdqcPb1RfTNO-jYD78u1VAmA4TS3kAv09T2hPE 3062
ase/test/cell/test_niggli.py sha256=Zb6Owz45L3IQOoEOk5M9hyARVqSgTgFA5iBbKrttC0g 9901
ase/test/cell/test_niggli_ndim.py sha256=gy1sbTNhXea3gfF2X2wqNUMMucI-_U__5pZ83pFlebA 1776
ase/test/cell/test_niggli_op.py sha256=CaZcSiKprmV842_eUPeuF7h6HXMIXYaoBLLDof9mAqY 467
ase/test/cell/test_standard_form.py sha256=qEgPVrJc_kglNgC3y0ofhwR3ACQiEWQGvMHI6vAk5NQ 540
ase/test/cell/test_supercell.py sha256=IRCLVYrWDoHTwx6Z2TwWDibbqnvVJLN0JA9ebYWaCgo 2399
ase/test/cli/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/cli/test_ag.py sha256=nYIRsjTgUnBkJ8PtMXAE1tpvlk9RUTWGpZ7RLWxw568 246
ase/test/cli/test_bandstructure.py sha256=-5qiyRXwDlGVgydXMsYPcnckxSHYxJlvZDg57JyVKd0 646
ase/test/cli/test_bzplot.py sha256=CEdvvH5Y_rcZA7_o0MNWTfHaLCE3FJD_0w8PRRCWs0s 531
ase/test/cli/test_complete.py sha256=pYVecfF6VQCj29bhOZ6z0TdCV0f3TZPfImUGHVKQ0VU 200
ase/test/cli/test_convert.py sha256=be5_3EIOg7JoBUxW9VZKRzwB9qNxLYz0F78httfKX5Q 497
ase/test/cli/test_diff.py sha256=yAwu2kaunU7MRZUv1WPB91rRJy1vKqWw5YRZ_yfc4M0 3997
ase/test/cli/test_dimensionality.py sha256=cS--RiwlsdZVLdNsqrOO-pYr1rk6Cqmhtl7NOYijBgw 1062
ase/test/cli/test_exec.py sha256=l_KwcCOBiVq7pzcIZFOLyrybelXiBTxiSf9kSgcY4Z4 1430
ase/test/cli/test_imports.py sha256=3otT-3K9t4zEgXpPQGE38DbOku_Z6c4nzjaiZePSolQ 705
ase/test/cli/test_info.py sha256=fTitjKv1HvNN8Geb-bt5RDJKD2AiBWakubome_Am-T4 754
ase/test/cli/test_run.py sha256=NWemEqSVlBBfM3nHTGKgOPu2e5ntGVprCJldf4k0qKo 565
ase/test/constraints/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/constraints/test_CO2linear_Au111.py sha256=8NO6AFpipWileZMJb808YOxhF_BoomtOgClRsyLUDzQ 1434
ase/test/constraints/test_external_force.py sha256=14MRE7lLCFMYuuvhsTfkBF6_s8GKVpW2k4XZX4NlGzs 2086
ase/test/constraints/test_fix_bond_length_mic.py sha256=MT24EmvkbblJ43QhYB855Q64Qxh2nkgiCFXkLYPzzvc 862
ase/test/constraints/test_fix_symmetry.py sha256=36nLuSoGPmn5UkJkA-p05Ca_HKVYERTc2xPHYhRJP2c 5701
ase/test/constraints/test_fixatoms.py sha256=bWa5nbGCkGVsxVRKlRRfy2KgLRIJ4EStioOFqeAQ9jY 634
ase/test/constraints/test_fixbondlength_CO2_Au111.py sha256=WX3SkCA42kdoC5q_-_61QpB_t9k8xAUETPjlujq0Obs 1352
ase/test/constraints/test_fixbonds.py sha256=mSetMI9O1k1eSIKjROh36sUQJBI2F1MIebwC33W4z_M 529
ase/test/constraints/test_fixcartesian.py sha256=If9ephWS7OS-dSetkQhX1m3zcXlRIMgOSILqiq7H1xQ 1672
ase/test/constraints/test_fixcom.py sha256=qNwZ_kKSmX9qlp9cn6vRJZlEcbe5yP5vo9zeukoK9xk 1597
ase/test/constraints/test_fixedline_fixedplane.py sha256=-m2IG3YI5ufqjzlDSk6JcxSmLDWtzw2DqHlcgcc-66w 3990
ase/test/constraints/test_fixedmode.py sha256=6xJz3wT3zzPJHwPfkx2yFEJE9zVHxEHjtG26P6obg00 645
ase/test/constraints/test_fixinternals.py sha256=fwfQNkU5kMiNkQH6BcEDvfmLavTO3b2O7ZvKMpst6Jo 6591
ase/test/constraints/test_fixscaled.py sha256=JBv5aIKnM6-I778aX0oHCZIHTwd_W2Hws8neBA4E9ew 829
ase/test/constraints/test_fixsubsetcom.py sha256=1FgXLG6zKuOALknB4gmIa71GaGizQeh5NmdolBDkKTw 1947
ase/test/constraints/test_getindices.py sha256=kOLneFvPtZRS5lNNezqgZ3jqfBsiNCfXitD2mNp-bls 811
ase/test/constraints/test_hookean.py sha256=_WrmaB2lvHG8EAofxti4mUr1P7PqGoMVixfcQYbE-2U 2257
ase/test/constraints/test_hookean_pbc.py sha256=Mxig63co1zUGO5a61h-u6QQx4b-8G8-lSHq4cRtj-H8 722
ase/test/constraints/test_mirror.py sha256=MxIEhBN4lyhywp1HbGnXmPrLXXtiBTUkmI_Xc2pZBqE 973
ase/test/constraints/test_negativeindex.py sha256=rI4M_vwe2RZx9H-H5Rl3sZNWjpxSNQtxvYOPa-T1xmQ 494
ase/test/constraints/test_parameteric_constr.py sha256=WZl2TGMV3VVdn3JM4jYj35L0YqpxVFy_kBxdXsAl2O8 4564
ase/test/constraints/test_repeat_FixAtoms.py sha256=whoD-3yP1ISAa4QAJlrGcR_WH-q-OEa2TOXGuiJ-tyU 1007
ase/test/constraints/test_setpos.py sha256=wdC0f-CiEiaYmvkDcphImWj4u3E-VyNb52CdeU-MZ_8 872
ase/test/db/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/db/conftest.py sha256=XHXFntc9Q7z1gXsWSQ1BtDzjvVpdSWBePEAY8l3j4_A 2267
ase/test/db/test_cli.py sha256=HTJGhiw3fGBz1Bkyr-5myurW59lJsNfyRV-Oi8lvCy4 1942
ase/test/db/test_db.py sha256=6bwcEO0n9QWftqDa6x34osDhIdqASTyR5hDTesQtSko 1669
ase/test/db/test_db2.py sha256=4BrcPsnr0o30Q2VKBDxhoMjhwuFrA3eHUqXP7XkRTBM 3448
ase/test/db/test_db_web.py sha256=CtmSVcThWMv1UyhPlWViNEdQ7Oe30G-tt2N-slmVJ70 3620
ase/test/db/test_jsondb.py sha256=FiFOiN5l3KSYgaHjOJNYp06IFstj-GA3XwPCFT00-OI 522
ase/test/db/test_metadata.py sha256=g_G1hQi7gnWHnWBNdTcRf4A6mb7KynAm4ZRxqXtL9Iw 1152
ase/test/db/test_mysql.py sha256=RfdFx7ppfzz-lLOlJFgf0Z4GDP2iFDvf56FJYu5-jfI 2975
ase/test/db/test_o2b2o.py sha256=qHk8mDeEUQPvfPxv4-7NrvJCe32EdtBhU4yJh30JimU 639
ase/test/db/test_row.py sha256=wyDG6IJNzhqcT5AWuyFmeUjd2urhAyOVDlHyyXb0Nio 242
ase/test/db/test_sql_db_ext_tables.py sha256=Aknek1dJoXvwOLcH1DjIe1rNWVT6Rt-1QsgHQiu7pRo 5254
ase/test/db/test_sqlite.py sha256=mCU6c7wzgOwospdl5us6rIFzLbXlIpsERIMTrYuvYlo 1677
ase/test/db/test_table.py sha256=TsnezW5t6gBtIjsjX7adv2aqA9oOhaaz200m2q2YrVU 730
ase/test/db/test_update.py sha256=4nvG0TuWSaBtN1qVHlleg7EEnGeJgNL2xTUWoG9uRJA 1090
ase/test/dft/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/dft/test_bandgap.py sha256=mRMaEGRtYXIQa6xrXqdKDvuc-wwtqLtle9y_tqtPAwg 1710
ase/test/dft/test_bee.py sha256=20IasUjYxZinCvAFGjWeEeWJJD0dnrGwHfDQF0YRc4o 1312
ase/test/dft/test_bz.py sha256=8xToEC6eY6xPLF_X0ejdsm0lpskNmc14zKPCtsSUfX4 599
ase/test/dft/test_dos.py sha256=oQ8os85XtXsFhWU1ruiADbtyxUq6eS-hdRimLF2DJbM 573
ase/test/dft/test_hex.py sha256=rrokYmjsaS82pm8D5D8Hyikw_EBbDwSDES5G-XU3uQg 1336
ase/test/dft/test_interpolate.py sha256=AcoWSQpQPqGYDDcn6FfNIskKGNFkRtIM9yXxaOXsOoA 370
ase/test/dft/test_kpt_density_monkhorst_pack.py sha256=kV0uPgLWYqiswZ7f0U5MqUy-frYQmZxF3bJ4GzbF6H8 290
ase/test/dft/test_kpts_size_offsets.py sha256=72sJee3EYADgfmWvTp1578dqEAWQq3geg3r1dcL5oyo 3255
ase/test/dft/test_min_distance_monkhorst_pack.py sha256=CimsVUFLWv1AZBvItrbM5GEkWIRR499wh0aOVw8DDCs 850
ase/test/dft/test_monoclinic.py sha256=mhrhwFnLs9U-DYc_56ocDXR1WUMlc4OZ-16yyrto2L4 1252
ase/test/emt/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/emt/test_emt.py sha256=xLUtq1mVwuMmbyS35k9cp-JZrx-LQG14Km_jG7iF0rc 1830
ase/test/emt/test_emt1.py sha256=r_nbKhVL25F1gyOGorOexvUb74gXmLxb4HvrcC3Dzr0 752
ase/test/emt/test_emt2.py sha256=Vebe7-zPTkRiJgYcX1k6KBr1OjwOKY3n75tE47kJj0Y 435
ase/test/emt/test_emt_h3o2m.py sha256=a0UKLcRvou5QeYl6BP5duaj7hvpgaoq1Ie4gv7A0ywI 2020
ase/test/emt/test_emt_stress.py sha256=r31FkFwUj6B_xAVEKdJxtveFIvDqOHWO7FbnA4R0rrM 779
ase/test/filter/test_cellfilter.py sha256=b6xYWouznalJW5XHStuA1zZrsu-xonEayDQ2PVhCtx4 5185
ase/test/filter/test_filter.py sha256=5lWToH3ZwGadQXovcbpmqmbxaEttBaXmRasHgKsHlnc 530
ase/test/filter/test_strain.py sha256=g82ZvrdvgJ0LGd8EaJi8o-32ia2THgGIVHvSZTggOnQ 597
ase/test/filter/test_strain_emt.py sha256=Lz5mK6egKmuARR-0spr6BaYcsHaXKfFXDlk1mPIdRNI 334
ase/test/fio/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/fio/conftest.py sha256=ZlTjXRnTe0KG5LZc-2Bdb1lvz5ivzpnteu21ToOma78 87
ase/test/fio/test_abinit.py sha256=qq8o0eDuCSpIM5C1KcdhgpLb6IGoVrncuTAVlr-h7PI 3899
ase/test/fio/test_ace.py sha256=ITRZYdfYT8EpXVMaTS1rhyT3obqy3XGz0j78WSY4LzA 2214
ase/test/fio/test_animate.py sha256=x7g9uv8pmx3_g_Mpd7KeJrkGVNCHEgFHdr3mQPs0Das 421
ase/test/fio/test_atoms_bytes.py sha256=9P8Tw0xBjanilsY0TtRN7ZGWXKxVOc5F-3tYTWJMsBk 662
ase/test/fio/test_castep.py sha256=Lgxm1YDhflPWHPsaDdLE4hk4kjb_S1Jj2MsIu43IL0g 7352
ase/test/fio/test_cfg.py sha256=WzvKvgxj3bBRUXpEMk_QgPgEbTZLONLrdFR2GQB8wLk 445
ase/test/fio/test_cif.py sha256=-QuVhyKJpuC9aacJVZ4vGTw7JbJFlebAdGkidObBWTA 16482
ase/test/fio/test_cifblock.py sha256=h_Mj45ozEIjtyzG2zxGu19n2gQSc6pprSSKYZ2akD6Q 1846
ase/test/fio/test_cjson.py sha256=owYaC0N-aZV2IZVWCdPCHZ6TlycTwUQpM0Eb_Sn8nt8 2283
ase/test/fio/test_compression.py sha256=plKkP1e3FSGM2dXAy4pc1-CS5q7LgGe-B6TKcY-J4wU 2928
ase/test/fio/test_cube.py sha256=9I3dckbE_gz85hE21694UcFj142UC2vDC9aqLR8aOU8 8618
ase/test/fio/test_dftb.py sha256=bep5jH-nOzlFUv6vH8NfkGoD8nbw0PUhuxLBQf9HonI 6894
ase/test/fio/test_dlp.py sha256=kuGLi9UM7qEmgy-dVFyfTbAjmnPC6610kl3P_WSCB0s 9033
ase/test/fio/test_dmol.py sha256=C2JgtftbhfAs1slbbbimRzvdXI0Ql1qkeNAjjKPTEAs 2229
ase/test/fio/test_elk.py sha256=rEU_4_bhKBmzyVBAFeoziS2OGbfkV24AAit03Cc0obo 1939
ase/test/fio/test_eon_multi_image_read.py sha256=Iv_WFUaI3Ux9pFhU5HIhPL6RluX9BoVUgFd0uRYvQxg 15515
ase/test/fio/test_eon_readwrite.py sha256=605FFSznvRqzHt3-MlGciE_3P4J0z58W9VvsTeqGNps 3019
ase/test/fio/test_espresso.py sha256=-t655Wd4HQcpoMyLGDeVYmY_2wYpxl7VHr2RueIeiDg 22040
ase/test/fio/test_espresso_ph.py sha256=Eusru1vxMuEROBXZTD0GMf7h1uU5BQd_tpxdhnFkKcY 22701
ase/test/fio/test_external_io_formats.py sha256=t_OaTw1wuuv8q2h5TEqeJlEkmZ5Ldi3r4REKjqHK2Js 3413
ase/test/fio/test_extxyz.py sha256=36oP4X4nZPRa3THASg9WMDn0uICy9yS52dQ3hjbPqS8 17712
ase/test/fio/test_fileobj.py sha256=6vkTxYmvP1O5jkE9dies4OES-Xpln5_erA0wcZKvXM4 1304
ase/test/fio/test_formats.py sha256=A4Y0FD0IxTti7qsJ8emaMYOnzqrb_CB9iEEEL6t1LfE 670
ase/test/fio/test_gaussian.py sha256=koy08WEA9wu1lDkr3OoTNQIPxXc-2L4SiBy5wpRKz9o 20534
ase/test/fio/test_gaussian_gjf_input.py sha256=rfDkU45X1OICfOtTEseB4heicjoRlL3oqALwuF-f6ao 8635
ase/test/fio/test_gaussian_out.py sha256=_ZyGWfazLPxBAlN0soLJHrhq5iAmBxpFa6fG7UWIhSU 14007
ase/test/fio/test_gen.py sha256=eSR3Rz9NZh-_l1D_psYhrDSbp_IyWXnDNacv4w9EaDI 1448
ase/test/fio/test_gpaw.py sha256=otNA6cG2UtDKnetC-3kFYMX_iqwdjcBfPnQE9y8JT7A 1531
ase/test/fio/test_gpumd.py sha256=xyUiA_jXxqjKdXVTAbDNLrJqG4VT-BWAuqJmGST2ZAI 7243
ase/test/fio/test_info.py sha256=kJfZwIYxVL6EzU-VuEmX6LUJib-houKYRDmxW4goAtQ 692
ase/test/fio/test_ioformats.py sha256=KRoqfF9cqSs8vkvP4H1gjs0m7Q-Ha-m2jf9drnaCd24 712
ase/test/fio/test_iread_path.py sha256=mNodIcxQctOAYbbdPkixdrWMLJtmF80pdwneMcEb3VI 209
ase/test/fio/test_json_arrays.py sha256=F9TA0f7f88lpoSeL13zi53f5Dko8nf9TghdIeCMgzj8 728
ase/test/fio/test_jsonio.py sha256=tmMRozKC6K9SeOuDbEAdHSGBStug4sAo2deItd6JOTk 819
ase/test/fio/test_jsonio_atoms.py sha256=NoCrhBwYob7nyhKk9dHOw7m8o-oTTTAmMItoDesOhM0 1992
ase/test/fio/test_lammpsdump.py sha256=9I8NMjDDARm9A1hgvQux21abC0pm65W7JsJQQW02uIY 4860
ase/test/fio/test_magmom.py sha256=aTYLiN_vvzsGMR08DnTpXn7LIEEBWZAoa8oRa8rXsI0 376
ase/test/fio/test_magres.py sha256=qpuu3th_lyy2JCkPmN7JERJG4X86qy1CY9WxCWZBBv4 1011
ase/test/fio/test_match_magic.py sha256=h9Eh2SP7OcCL0XCKoIRWTyDh_AkMewA8dKyeK9z4PS8 312
ase/test/fio/test_mustem.py sha256=Cq83UqSJiXu1Ivydzmh_HleeJo_TsBPlkgZoRKP4UVE 5488
ase/test/fio/test_netcdftrajectory.py sha256=iJtQLBZfB45Lr09-q4NJaf5Vtq0nHmj567iV-qn5wuM 6794
ase/test/fio/test_nomad.py sha256=3ubm8pc-JLf33NwoEhiIvxRxuwyyXP2_R58clgCToaU 923
ase/test/fio/test_nwchem.py sha256=YfTAdW9He6qHjSKNaAFjku8wUyVGvmFEPwdw_Q_L32k 4859
ase/test/fio/test_octopus.py sha256=oXJr1VAJWfR7wmGqwDcFaxTsC4f45DkudQOiKhCJMNQ 1679
ase/test/fio/test_oi.py sha256=9r7hhZKYD7FDbH3XO47qNWHlNbrB0qj_Za3uSd1KkDA 4336
ase/test/fio/test_oldtraj.py sha256=Xct781GBhNNBe_tiJ7rVHHOJbBBVCtiWnH6f-CKazQ8 2378
ase/test/fio/test_onetep.py sha256=pY6DNMPHDIl6AYBH9vL0zhjPIXRJ07EY_ehZvP6mHWw 122726
ase/test/fio/test_openmx.py sha256=NN4MTlzfjya8WJ637nqr8gtcUB3wEoHQtM1s9X3eehQ 9635
ase/test/fio/test_opls.py sha256=JDk94UWdwi7ErZ6UFnTFMxzzqEwfoz3vpRujWsto1o4 2559
ase/test/fio/test_orca.py sha256=ud45UrNC2r_x3gPyns4n-6lvP6wmnlZbiHyyG3khJEM 6332
ase/test/fio/test_parallel.py sha256=d_0VlecClHoqLuDqQFP1rZVS_J6AtL2eD_P8iE1_KAA 270
ase/test/fio/test_pdb_cell_io.py sha256=utAJfspQ216-vhYgawrhV7USrNCRcZmZkoc1TUqjWnI 7430
ase/test/fio/test_pdb_extra.py sha256=fI6h63NyiOvwooMovy45HbM0-wpR3Jga8PDkDVDHPX0 2389
ase/test/fio/test_pickle_bundle_trajectory.py sha256=8_kwLhr4TmCvRpqVwdaihqRvYBs1mX7Zztta_fvOKVI 4101
ase/test/fio/test_povray.py sha256=RfyjVto-Xxha8SYQ9ShT4Z3EYGsuQhQbK6fBzKOHI-s 2650
ase/test/fio/test_prismatic.py sha256=RTcbxKdgh2Vye7Zhkn0sO9poHgvDYf8ZgLYLqWgRAsg 2715
ase/test/fio/test_proteindatabank.py sha256=Yv4M3-iO7-AjvFw4OaTbgUG6l5zIhnqoNBmCcL6xWRE 2786
ase/test/fio/test_pycodcif_read.py sha256=R3mVuuhn-GaJfVwWvJG00MjKNfK9yzezDC4cMMI_BI4 1192
ase/test/fio/test_qbox.py sha256=0Hoe79ZRIxN8d4RZ0W-L9NDma1wb0aOfczHMtgsVNsg 2064
ase/test/fio/test_readwrite_errors.py sha256=sgkYoVs4k2Oej9tLFnK3PA7ljhuNvIJgMOCyvTaz5E8 2709
ase/test/fio/test_res.py sha256=k7s0k68SguDgW-Dl5B21O4XokFz6UrOJ3UQKdRgyxPM 12776
ase/test/fio/test_rmc6f.py sha256=3A4Ed3utpE_6J9lcbTHq_8IbZPwcEUbAuOtF9Nt9ows 9354
ase/test/fio/test_sdf.py sha256=v3XhEh7aeV0RhMltAQsuBY0rTZ5Ai_vSpIu-4w-HBmk 2840
ase/test/fio/test_siesta.py sha256=s9n6lrmQl4FXaVtci3mLGzfv-G13bnHAPBXE4rReB78 1824
ase/test/fio/test_traj_bytesio.py sha256=1bZLcbDvrqtGWnLcZ7RWC9JIFt2yMXGOaHezRZcHaxE 453
ase/test/fio/test_trajectory.py sha256=0YOq9hV1-8wrTgx4zSThmnPqermE9EbXl2_7naf8HZY 3090
ase/test/fio/test_trajectory_heterogeneous.py sha256=RZn4m8QoiFFsR_yHk6kFzpuJEsZKekjJmzE4-a0w0JE 1519
ase/test/fio/test_turbomole.py sha256=G4lj37Jb6izOJRj6D0Kfhg-Y8S-NBdKr0Hb5gX2dZyo 475
ase/test/fio/test_ulm.py sha256=Gyh2q3rFpwUZwNuKDC0g30xFwek9nxa-d_SGeFvo5fY 1983
ase/test/fio/test_ulm_dummy.py sha256=pw7HZQBsp_TjjdEOayXnNdldqj0PzZ-WWchA7PgnKpc 438
ase/test/fio/test_v_sim.py sha256=tJ4tjm2SmyMGGY_xqdIcZlTR40kJSxs9jdd91kRZb8U 13548
ase/test/fio/test_vasp_structure.py sha256=-bFYZm7sKSzEgLPIkq7xK8NByeAbSKbiXvqrb133r9M 5379
ase/test/fio/test_wout.py sha256=ebeVUPX4XzxB4AWuAXckHpfGrtrEqwFuT67zRqsiQFM 1410
ase/test/fio/test_xsd_bond.py sha256=smyPPhgoHufq7XMYn0fzJDPdtUhHjdmskbV4VhNDC-E 2798
ase/test/fio/test_xsf_spec.py sha256=xH_9hOoVPulHG8ZUdteemB5YmM7rm9iPoPWka3rrUlc 8448
ase/test/fio/test_xyz.py sha256=1q-gHKjgo4Asmgv93a6Iy8KPaZ7FB56n9xXhh__-u4s 2732
ase/test/fio/aims/test_aims_out.py sha256=gHtZeMuwIKw1lp09LuFWGWR3K734y6wqaLKAauECuNE 6920
ase/test/fio/aims/test_aims_out_chunks.py sha256=IaIdeZpoiqGiY6_CiwOusNjD72AFZfA1xcKk3njV8j0 51343
ase/test/fio/aims/test_geometry.py sha256=Yykfr7ykbBUoYK184H_gQPURcOcUA_l24K84by2plUA 8450
ase/test/fio/aims/test_write_control.py sha256=rGqlCeo8LlOn7k_Z5r8-lOYM8ND3GQMWQ_0RZTr0kGM 12093
ase/test/fio/castep/test_castep_reader.py sha256=B4fvLI4Vj202n6JgclxMoItxDY5M13N191Sy6Iw0Upg 25228
ase/test/fio/castep/test_read_bands.py sha256=d-eouKf3KySN0Lvy-bVkiwOLqj8TA91ssaHUzSpVyl8 3319
ase/test/fio/exciting/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/fio/exciting/test_exciting.py sha256=atxI33952wxQEZyS5qIVmu78rHd2Hnb5UNQB5BJgz00 10052
ase/test/fio/vasp/test_incar_writer.py sha256=afLKqYhRaMxoeSRfiOwVHX8XQJ3ew1H5uP3RkH5ZMB8 3197
ase/test/fio/vasp/test_poscar.py sha256=YNC5qzqKcj9L8DMBmVjnYZ6S8Pt9LCmuLbVpVtnhCQI 806
ase/test/fio/vasp/test_read_vasp_xml.py sha256=E2S-q3m-8EaMfFKabKMTWq85rVITAA3KenZgbAsbBTA 12547
ase/test/fio/vasp/test_vasp_out.py sha256=7ibZjFvsPpOff-ERaOkN2cIF6BQOFi3_CgC7zwCCu48 2489
ase/test/fio/vasp/test_vasp_outcar_parsers.py sha256=1VVR-eDa2wV5Kbtq4ATLd10XjbF2RuKHtfOQR3vxvY8 22670
ase/test/fio/vasp/test_vasp_poscar.py sha256=WRUCkmzMBqIQGszOTIvuxRujKrIwDWNLJUQoaXAdq40 2990
ase/test/forcefields/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/forcefields/test_acn.py sha256=4uPOni4b5mJtwEhEJHuue1puZ0qi08MahcgTHCM_ywE 706
ase/test/forcefields/test_aic.py sha256=9pzbdy0ibrjvaKWza3RUUcld4oGapYoD-a0mTdBl7Mg 433
ase/test/forcefields/test_combine_mm.py sha256=6pGwVlM16cCsvfvKsSh4d0FyBYv-nErwu6DXe7ZVQpE 5269
ase/test/forcefields/test_combine_mm2.py sha256=z1CdewF2xrs_lGnW-NTNrQWVd-R6RCDHyKXvxvVXugU 2421
ase/test/forcefields/test_counterions.py sha256=4RPtvJy4lwetHcJo4D8njIhv3U6D8SPovmsxeCvw7dY 723
ase/test/forcefields/test_forceqmmm.py sha256=zOfpbADcEbYz2jWLGxFkQI_lihK2yVvRAuNU_or0qPQ 16089
ase/test/forcefields/test_qmmm.py sha256=jdw1Olgrf1EbjTZ1zKt4ycDUlgjCnnEqvo7NgflAEOs 3221
ase/test/forcefields/test_qmmm_acn.py sha256=ZICqQbAhLzYpzymRV-c4tv2D4kTORTiVFkWqX9CYYzo 2125
ase/test/forcefields/test_rattle.py sha256=rHez4IuHJiIyIiJVmHHZDhRSSlpujNJeh23VzI-FLZU 1433
ase/test/forcefields/test_rattle_linear.py sha256=DDPkOWmdAzBJW0qRux5C9ETxOTHPWIWPcw-SLDhj9ho 1885
ase/test/forcefields/test_tip4p.py sha256=1Orf3SxRUgP-4GhTKaNnwQc7OY9lzaMNQuK4V5liXQA 825
ase/test/forcefields/test_tipnp.py sha256=lIzmeApVOoAYkgITrmW-omqSPd3bsOMLB0GL50JHJj0 882
ase/test/forcefields/test_utils_ff_vdw.py sha256=PUT4sWHHAtlVV2kF9JK_tSlY8wTEVogb6Qviqwi96xo 729
ase/test/ga/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/ga/test_add_candidates.py sha256=mP4KcPKPlG4miDg4XCPaSolzBnJWz92rmSi3hyO2Oz4 1826
ase/test/ga/test_basic_example_main_run.py sha256=52F7kyPUToyN2cgS84IjO25V7zr_W_ti2ixcvdP5y2U 5841
ase/test/ga/test_bulk_operators.py sha256=2fyQbD-4HMwelksdxJLswmtNkRvfmkG2v0JQzr_mloU 4783
ase/test/ga/test_chain_operators.py sha256=quLbDI4x5gp9zB5Gv0rGg4uuyjsIwH_Ixy6Dw1TNazM 3064
ase/test/ga/test_create_database.py sha256=-XdgxQntU8UPcm4XuBsadwtHO59aUTOQsnGEuvSYNSc 745
ase/test/ga/test_cutandsplicepairing.py sha256=5djMK9fRkjRAb9hDB2Ua0_lTxgGU455zKWcRv17RH-4 2302
ase/test/ga/test_database_logic.py sha256=DY1XFJICMsrw50JzpDPU3FqUrMuQouQuUGsy_ykKLDM 2615
ase/test/ga/test_element_operators.py sha256=JnhtOyV9qZJDIFunUpMiflc8EFLrpusrGJVIy8wvAc4 2461
ase/test/ga/test_film_operators.py sha256=OmaD0Pltl9L5X7X6FPVlcc81A_weEGn3OMABhH8B4kU 3240
ase/test/ga/test_mutations.py sha256=xcDcApC2ytVSBShEfsdybDoa5fi2bRLTgoPlwCBhq90 2589
ase/test/ga/test_particle_comparators.py sha256=ORwh9hJmX2nGvoXwcUnq50hJvJwo5lqYPbPOerGoNQs 1119
ase/test/ga/test_particle_mutations.py sha256=5S7Nl1bq1_9--RaoEJBeKZxS0rarWsKvW439Kt0zBJ8 878
ase/test/ga/test_particle_operators.py sha256=Ph_J4HV1nwhNBmVw8LaQctQVawY54QUO3maGK2dl9Qs 2061
ase/test/ga/test_slab_operators.py sha256=KEpHknLlDwcRnnitfDpCuXQYaTAAOZOlhd2C0saOFbY 3034
ase/test/ga/test_standardcomparator.py sha256=0g9rP9Tu5H_F4saTaXIY-VZdklD9PKWOYLae6VKCRc0 2009
ase/test/geometry/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/geometry/test_analysis.py sha256=SzpFNBosn8IGWueoqd5D_b_NMqLi_V1HF5AMNfX7BIE 3415
ase/test/geometry/test_dimensionality.py sha256=VoVCOH4wcswFoiovyH4IsvuaPz9ErlU26mRgbtPapFA 3361
ase/test/geometry/test_distance.py sha256=D4heRvdm6QIApT4oW5Dn1_8l40TP4I72UxQN4nTwQ0c 1843
ase/test/geometry/test_geometry.py sha256=3ZzmpHlw0D0f-EuLBW1_56VDAH7-mirMSqxHi6YxysY 7988
ase/test/geometry/test_geometry_derivatives.py sha256=rXhoCYuNDGlCMovsoVrtAIRZkq3kSIp5oDFi1y2T6oc 4264
ase/test/geometry/test_geometry_rdf.py sha256=YjHiB966dkGHcnlaN_xVFkQkl4v2Pd9u1IV-COAdsBY 2357
ase/test/gui/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/gui/test_run.py sha256=p8Vfp9JHqysZgJg_Y-976LhaQHRiGhndGTUhxK7oSak 11900
ase/test/lammpsdata/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/lammpsdata/comparison.py sha256=ke3EbB-RR5tI96SftNPNWjq0fC0ePg-Mf53m_FcMcgg 388
ase/test/lammpsdata/conftest.py sha256=iY9fRnMgFYbYvZsgAIU8CUXQD_CUqsGjm5VR_Z-fzOU 639
ase/test/lammpsdata/parse_lammps_data_file.py sha256=7BFqb2DJYlJtRJ9IGfFZrB1PJfWgpUsrSUek0w0Iypc 4946
ase/test/lammpsdata/test_lammpsdata_read.py sha256=3kyhHhTFN6KSogFTf5F4hPUw7X8SqDq2aHtRoPWGAtw 1762
ase/test/lammpsdata/test_lammpsdata_write.py sha256=zNsaTmzdFaM944hU-VgrQP7aJ6vZBjEhWYGIxqkp04g 1635
ase/test/lammpsdata/test_read_connectivity.py sha256=0U3LADXTQvPO5n4ySpVIDGT0KwTPCGT6c05zH7CCKiQ 2926
ase/test/lammpsdata/test_write_and_read.py sha256=XPYTAauoJtd2C0A16sUCZUHdrA97vCWuGqlLMpdpFto 5472
ase/test/md/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/md/test_CO2linear_Au111_langevin.py sha256=tlphfkNGAyx8dKICjUF0YKY-4VSapVy7gv1j1G1xhdU 2130
ase/test/md/test_ce_curvature.py sha256=xKQOHiMaqWxdr4V01oKL-Dslv05SOeGEZocnXXoZA0U 2304
ase/test/md/test_ce_logging.py sha256=rGWEjhIYmVqdOYLILMggjPVrmdBuh9KlP8TId-ApB2s 2930
ase/test/md/test_ce_potentiostat.py sha256=O0su5IZ_dHu0BCdzC_1owBF2eGtAayUx5uiUYNOJ89E 2755
ase/test/md/test_fixrotation.py sha256=RCLxAyBNTg9jfRPZE7nhZE3Kj6qPbeOWdyYByCnzcOg 1856
ase/test/md/test_idealgas.py sha256=h3CVbKhmj1mgldaX9ZavcV7icp4nK9Je4tiOGGmiaWw 1135
ase/test/md/test_langevin_asapcompat.py sha256=ZwBt9EPwd2u9yCzTsHkAwf_9i7u71f0X4G5PYRCAyNg 937
ase/test/md/test_langevin_com.py sha256=qvo9_m_SLpVhDuc_wLatHF6b45tcEXnjJ4XAJd2MdIc 1161
ase/test/md/test_langevin_switching.py sha256=uuu0lU6NLQxK6LUxJP--A4--0GLHrPvxUXasKIaKt6Y 2069
ase/test/md/test_maxwellboltzmann.py sha256=PE5SsSiNrvYClxEz4pWyVF2ZPi9li9CdBRbkSDmoy3A 498
ase/test/md/test_md.py sha256=8t5lNgIuDTXJCRG38g6as_LNQFjXay4kgOsnazkOzXs 1204
ase/test/md/test_md_logger.py sha256=2xWw1awj81PrlmWAPFUYop3mpqy5dwMf8buja5uamAc 2668
ase/test/md/test_md_logger_interval.py sha256=-jOuU9lJr8VX_Apc88pMgI7eRPR3EFo0fZEUuLXJGNk 2598
ase/test/md/test_nvt_npt.py sha256=T5hFWkfF_BJ_bJBwMLI89TiQrPrmF51EBckvsjln_6E 4224
ase/test/md/test_phonon_md_init.py sha256=cy3ph90LL1HdsWYs3D1sGArXNh-4tqBw7EdEuzFK2Dc 3160
ase/test/md/test_velocity_distribution.py sha256=IGP8OF8Chk2iwIFfhjeW0TxCXSqPIFsk9FT_SK1pkrg 1523
ase/test/md/test_verlet_thermostats_asap.py sha256=tdyuW6H7hFczAazHsWxJdQrqZgKb70Uo3O2FG87O53o 3521
ase/test/neb/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/neb/test_COCu111.py sha256=-stHPWQfjNt0C_dQiIB5e2nG-BtG_72ZdcWiHQXjZfQ 2351
ase/test/neb/test_COCu111_2.py sha256=tFC4HJAYSHLBRSgD-Oadv5VlAt6WcuhsT75emzSEdXQ 2838
ase/test/neb/test_autoneb.py sha256=vQbMz_u8oc8giA51rAVo1-St6nLh2LVEG07VnTCAi6M 2878
ase/test/neb/test_dynamic_neb.py sha256=DvMmSsRjOp0xp3x99l0JPl7e4jNRBi-79yY2rjTIa1Y 2874
ase/test/neb/test_idpp.py sha256=BUc_EuAue4nP639qfptp56X4Mz6OpePWCbitfWbI4t0 712
ase/test/neb/test_interpolate_images.py sha256=sfrURw10igAXnbFURrpCx9qA7VO-JKA2-RybqiPrzH8 2693
ase/test/neb/test_neb_tr.py sha256=4zHaG5YvV7KNubTkMyIeyXc03i_HVTOgM4mdT0SCdtk 2547
ase/test/neb/test_precon_neb.py sha256=BSmWwgttXQdoV8D8r2keVXHM7VCkGOXL6mmhP2L7UzI 9066
ase/test/neb/test_shared_calculator_neb.py sha256=R87PRJsUsntRyM9R5etbon1k7beQNbQZeBZD4BS1BGU 5028
ase/test/neighbor/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/neighbor/test_neighbor.py sha256=vu8_HUmODg2XHrJ36vf0ANuztg-0vaDaI5jd-dwGPlc 8811
ase/test/neighbor/test_neighbor_initialization.py sha256=aEUvyC8tHTeOhSE-EWciFA6CU-QxgMpkOupXiDIynB8 488
ase/test/neighbor/test_neighbor_kernel.py sha256=WH2qoo_3UcS6b7VWrfH06db2ARBN_JjDyjqf3EWSEJw 7968
ase/test/optimize/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/optimize/test_bad_restart.py sha256=ntXIYDWVN-Hr3o1hyBOCjn1agGlGUF4i2cqnb4gIzwQ 330
ase/test/optimize/test_cellawarebfgs.py sha256=sGbjafQuu6ssigrwJ_kRE7zW-2TU1wwIWgrSipVML9Y 5341
ase/test/optimize/test_climb_fix_internals.py sha256=jgXNWVrKyrs_jcDWcAcr4j0CFGzvqMQvYJmrOyea7Pg 2826
ase/test/optimize/test_fire.py sha256=1tvUFf8Cw89uJNmw96sIrgZIL6vIC5r47oaqgtHlpOg 897
ase/test/optimize/test_fire2.py sha256=OdYmfj1iOpSqgeXQHclr3IPD_vgLAK3yK_9jDhTtB7w 1218
ase/test/optimize/test_maxstep.py sha256=swqe4w7VIBDIMazAW99oX-os0hQiEbLxVXRYKSac1_s 713
ase/test/optimize/test_minimahop.py sha256=JruEiVhRFnOFaFXJvzGUeMZjr5Lzjng9S-kkqhQoMc0 1663
ase/test/optimize/test_nsteps.py sha256=aecDBDu5sMB7ChgSxjiq8P6il5ZfuDBV_Ue222W2tNA 669
ase/test/optimize/test_optimize_stepwise.py sha256=1p2MmJyCp4GFDGn99n0y6d-6WKDQPgYsu5rVJz8b2c8 1708
ase/test/optimize/test_optimizer_restart.py sha256=7Sn5K4FF3Oo-DczVCXjXef-kIOykrLQvIj7K5UYAzXM 4892
ase/test/optimize/test_optimizers.py sha256=s-6EBRtSRYsm2p48SNNEBbsaFHtN2aogbGpseZnptIk 2923
ase/test/optimize/test_replay.py sha256=wfmnLxRCFOZEO_8RutgA7Uz-buy2kgoJYoBaiO9N3fM 1097
ase/test/precon/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/precon/test_amin.py sha256=aTdVBFcoRgDOsmCfdMg5pQ8do_n7kk4Dt2xjVDbElH8 1053
ase/test/precon/test_ff_and_precon_c60.py sha256=pq0bPkqaN3vHl6LvfjN1CfbCu6bhS0KW_M7N-68Zfzk 3168
ase/test/precon/test_lbfgs.py sha256=GGNXCNaxJKgaVsIgmOfYuzskXkexYJlItwng2Ld-n_g 1649
ase/test/precon/test_precon_assembly.py sha256=a0oUQl-b90qO-84mZYKbjwvV_gjfOCeK54T-dTt91FI 3273
ase/test/precon/test_smallcell.py sha256=o6TaQNpk2w5owo7Gd_d-f1ItzHMhb1BYYhuSLRpCvEo 280
ase/test/precon/test_unitcellfilter.py sha256=IyT0Nuj9VpmthPIv2mZesVYbu8vkggVzcg5MWrDZ-W8 1024
ase/test/spacegroup/test_minerals.py sha256=6cT1LF1ZPZxjYzeuzOOuX7zJVxLUtj-NJaRmhjWx3R8 2733
ase/test/spacegroup/test_space_group_data.py sha256=i23OQVEp089klx5i0zvedml0BDYrLpjEhGbsioGeV0w 1613
ase/test/spacegroup/test_spacegroup.py sha256=nbnQNQB-pGRFRzHrxtupibd73cbVlNUiTpkWfKSWRQA 3057
ase/test/spacegroup/test_spacegroup_crystal.py sha256=a4_A8YdJgqAaJ25xOMsELlo12Gh7R5XOb4NTced_MAE 2290
ase/test/spacegroup/test_spacegroup_utils.py sha256=oqR25yZSt0J1bgqy-xnmtwI3RipT7BWNUHNHLWPWseo 3603
ase/test/spectrum/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/spectrum/test_doscollection.py sha256=en6OXHlIKHuGX4NQxmq686jjDNuXYxwbjRL4kl-zENI 17194
ase/test/spectrum/test_dosdata.py sha256=hvGvQPqUVaxPJSsis2eEPza09uSh-qtlcct_Pr8GCIQ 14840
ase/test/standardization/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/standardization/test_properties.py sha256=zIEpPJvNjp-I80Lhrk8t__QWnBz4zxcr8g3JYfubiTw 499
ase/test/testdata/172_defs.par sha256=Kuq1RjNq6P7P1jzLx4Vd6qUb0w4v1_cIAJvUo-bPceQ 680
ase/test/testdata/README.md sha256=XJtThn1I1X1Wnkqptx3thBPFCwkRVyVhfD1lxreZUHo 415
ase/test/testdata/gpaw_expected_text_output sha256=8Vt3QwmYsG3M_ldO363zTBMqxawRPOtHFBZxI4Q6zo8 11658
ase/test/testdata/lammpsdata_input.data sha256=XJyyUQtgkpJejCmk1Vf4UxCwu7TJmZLaUOEgj3e2PHM 1726
ase/test/testdata/lammpslib_simple_input.data sha256=mF0oaBNsJwxTMfNUgoQ2PQ8_sqi1D8w7WYNh39fYpQc 1788
ase/test/testdata/large_atoms.magres sha256=mjDT4SpIwQXy3f3UCFtaCDMc7NBdRJqJ2sCe91KSTHs 508498
ase/test/testdata/nomad-images.nomad-json sha256=4shAQFJPlu5oL_IiS8Ciu1IfetQfnbK6E_6Xsx4O2Jw 11818
ase/test/testdata/onetep_include.dat sha256=QhS2cmpf_9mLex8BWYyfANQgac5Nx_VmeXu2-1nEiZo 96
ase/test/testdata/onetep_include_nested.dat sha256=QhS2cmpf_9mLex8BWYyfANQgac5Nx_VmeXu2-1nEiZo 96
ase/test/testdata/opls_structure_ext.xyz sha256=mU2mLpfGGqsuH8dGYDMqqJAdoiBwrSDm3avR0Txqvr4 381
ase/test/testdata/qbox_04_md_ntc.reference.xml sha256=Hvq-u7-cpzCouWJeZxLozcsRpulXqwqvG1waqNeS9RE 36621
ase/test/testdata/qbox_test.xml sha256=-UFqGg_yeIJ_CTnixdrN_aJiDbWhtuKOsUjZaoJVuSA 21586
ase/test/testdata/rotated_bz.png sha256=imlEK-iQJ1W0xuFFvy5RAVnhXVE5ndYwwDzzKfZDZyE 19692
ase/test/testdata/aims/DFPT_dielectric.out sha256=XK2icLrdjqr0F6XJ3qtv34VheC2sDf0lZxfb004ZcNs 42383
ase/test/testdata/aims/issue_3345_spin_md_light.out sha256=AY0MNKnzXQOU7LE1F8fVs0akQSIT4sZLFBaI4_gE5zE 38783
ase/test/testdata/aims/md.out sha256=n5IMA3hUD8Q-dYSUbW1g1VGrhQXGllG0aN_Sxid1wH4 70784
ase/test/testdata/aims/numerical_stress.out sha256=S_cEc77bolgaILNYlQQfN6_95SaCsvprlgd5b43tdZ8 5338
ase/test/testdata/aims/polarization.out sha256=Qef0XpMlsv_bBXFfkoO7txIfM1XSg-C-9J5kZyA4NyM 2502
ase/test/testdata/aims/preamble_fail.out sha256=ZRGGfOamtfhOZqnmOZlAUUVKuzFcWCosubIBhtbFaUg 37
ase/test/testdata/aims/relax.out sha256=cqEy-4G0FNSAdLmQWQ2SRMtJnAN1OIQWfcOsMPMmOKg 96115
ase/test/testdata/aims/singlepoint.out sha256=ynK9RDPdC3jzvqEg_OOSmtUQFIqBGQzPbciZ_tqP_fs 21877
ase/test/testdata/aims/socket.out sha256=iJo4ERZLEj4l_wXrfOtWI87eVDPBMfqxqSc2sfh4fl8 51093
ase/test/testdata/io/eon/multi.con sha256=8GpMyBl3P_Yo9rarirZ8hvslWxKhbN5uz3KBGiqj3Kc 12880
ase/test/testdata/io/eon/single.con sha256=otAMkSdm9GGdVeODfCUgB03l1bIS9kveSVHUFWXCLyo 383
ase/test/testdata/minerals/cod_1010930.cif sha256=htuiyqXbRxkNfYra2aJJwzx6grVLjaBKRXwjnBqx2t8 2476
ase/test/testdata/minerals/cod_1010995.cif sha256=piuoCcrURsLnrcEeAR9G4SLwyIploDVthTs09LrwpME 3410
ase/test/testdata/minerals/cod_9001665.cif sha256=0V4haED5KmXDBudjZu1AFOOP9X4a6FEoLk6wgVKr0Mo 3337
ase/test/testdata/minerals/cod_9004112.cif sha256=TGIRca-_Hi7-w_gQzHt9rNzqO_i5-8G0eFqJuvM0t_0 2419
ase/test/testdata/minerals/cod_9004218.cif sha256=OWIGrjJypOrZa6QlLStYiQ7Oa-yPR5CsfFzW_-qceec 2395
ase/test/testdata/minerals/cod_9007640.cif sha256=8_gPXfMcXlYxJt_EpsDG3DQNINnZGX-VYhs7rrQkSWQ 2421
ase/test/testdata/minerals/cod_9007661.cif sha256=86j9LL1pkMs8gdrdVM0Q8xj7vMBlAPaOz2siX4KdVxc 2852
ase/test/testdata/minerals/cod_9017338.cif sha256=xKiXziz8cmmzvlykwixD_gxnlRsLHoNa3E-1mgvztgY 2715
ase/test/testdata/nwchem/snippet_multipole_7.0.2-gcc.nwo sha256=r4oa-GsnXVpIm5Z7sFmQIv9mA-V6lYk24TD4UNh1X40 1296
ase/test/testdata/nwchem/snippet_multipole_7.0.2-intel.nwo sha256=kdqkS_x5KHjYovL3zTwpQj3Qs5jfz6T9gbSFB0S0VJk 1301
ase/test/testdata/siesta/siesta.EIG sha256=oWa3Rls2cH5qTkMOKq_gkrbuGGTwSnJOZ8ZP1ed31xM 616
ase/test/testdata/vasp/OUTCAR_example_1 sha256=otT4NYC5rAcMfN8p9RtMIwZIlB_rIDAS4YcNMscncA4 161682
ase/test/testdata/vasp/POSCAR_example_1 sha256=8Cd-iO81pFIKx3oEJATG2VFAoblVdVFqoxKIEbl0f_Y 1381
ase/test/testdata/vasp/convergence_OUTCAR_n_y sha256=7cbkdsfAszeAUAIazG0weUOvm2C6PhKhz00MJ0YLP8g 483
ase/test/testdata/vasp/convergence_OUTCAR_y_n sha256=a8ZTO9xlA7aYYeZY1wZXBGzAAzQTz40R8HSuCwKhmN8 549
ase/test/testdata/vasp/convergence_OUTCAR_y_y sha256=jcTs6ZlcwODqIpmzgbdM92QDn1Lsn2kAjlSZxj24YhE 747
ase/test/testdata/vasp/vasprun_dfpt.xml sha256=4eysJKb-h8xh0s6QO8_3QlgRhVtdgQ-6Iz57gjcHajs 67418
ase/test/transport/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/transport/test_transport_calculator.py sha256=5ACZR1AcRhzowPcDWRq4sPmsWsrwbxinbjnqTT-zYes 2511
ase/test/vibrations/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/vibrations/test_albrecht.py sha256=OzI57Lv8Thq3Eo7zOI6nMInwLB8f557j_eMCHVNzOUQ 2666
ase/test/vibrations/test_bond_polarizability_raman.py sha256=aEicsPvTEfcETws0r2akhapLom44JR5r5wVIe3bYHlQ 2685
ase/test/vibrations/test_combine.py sha256=44BpKM4tFvcT7dpRL27hcSHt4tkS7IMZMrNsJE2biEg 1239
ase/test/vibrations/test_folding.py sha256=Orgud2x9qARtChG2mw7cIVa4KW-Nqh-sbkYj5RyhuCE 702
ase/test/vibrations/test_franck_condon.py sha256=22Y1Sh3fMMB9RvzjZGYCrM3mPdgo2P1mikXiTYDPcZg 4458
ase/test/vibrations/test_pickle2json.py sha256=CHKZYUDLb6HM4bvey7spz6YxoHVNftu7evZnL3uwTh8 1239
ase/test/vibrations/test_placzek.py sha256=AlwrmWUjYMhZtDZ1N1OWUWfSQ3xCNX7d0oEhGL2U3Yc 4018
ase/test/vibrations/test_profeta_albrecht.py sha256=8sKPSwg_Y5Hyiwc5Dg-LkI4T8hsm7o3739cAuTWyFVc 2205
ase/test/vibrations/test_vib.py sha256=ah3B5f_E757tNTLnmQ5iruVCQCS0tibNZxJt2uLWytw 22999
ase/test/vibrations/test_vibrations_example.py sha256=6jNfOT4WJ3p42GUGcRSyKMocKy8qyFpeJXdyojhsiwc 837
ase/transport/__init__.py sha256=3pcM4oNGeAgHEIMQnm5o73b1l53Jvs-RlF1jbmW7Giw 80
ase/transport/calculators.py sha256=q-WY_Q8orkSBpAK6OZeFMf_FEvtyHQOzWlIdyaEkDZ0 17276
ase/transport/greenfunction.py sha256=9JTZez7prx1N8PvzeqppFmlZe6KtLlSa2qV93SkaOWM 2100
ase/transport/selfenergy.py sha256=pYPOSL6PoRT0Zg_pbB94jLV8ggbCADXqfDaijixbAa8 2813
ase/transport/stm.py sha256=k6GOZzOceY57A-8zjiCUK4Cf-yQ22pXFbPsjtV6t5Wg 7495
ase/transport/tools.py sha256=6bwqjALzgLzKipoFnolAbq7SPwMhzAKPSA6w1oYGuaU 1978
ase/utils/__init__.py sha256=H2Ie5X8UGe6945tqNFSD69U0ORg7gJ-y-lR-L9e_nIk 21073
ase/utils/abc.py sha256=-xfohHloZ7XiBbBGM-0HSTeEC1ZRIw-fYIE1pVXZ_Ds 783
ase/utils/arraywrapper.py sha256=gekDkST0iYvVvvt2bzSWRsiQali5-7wGxPPLVbLaUFM 3270
ase/utils/build_web_page.py sha256=GljDkm8iHmnt0FmKM2CUXz4UPilW1XWWqvKdtgipVpw 1553
ase/utils/cext.py sha256=8TFqoRn8nl2y7wnugZHmr9JAVRT6-JQXCgbqMK04foQ 519
ase/utils/checkimports.py sha256=KYrjsec1jeSSmjd6TF5VezDhlLtRV3qSiz8OAiZfgKQ 3947
ase/utils/cube.py sha256=-iEvubIWfuBm5jvVfy4Qi9IM-YOD1GsgW-BJBdCxbxU 3532
ase/utils/deltacodesdft.py sha256=zZWhlXSTJDAl6ssGqT-cTOLeEHZAm7fSWbnsCqM2FEQ 1033
ase/utils/ff.py sha256=wfsCyuFzrcPZiIpMQJEymyFdovXiNDtYpkYaz_wMBrg 26592
ase/utils/filecache.py sha256=_1HtS99FSBDS567ABCNovnqjq0hhGa6HHSvCcn_dMgM 7767
ase/utils/forcecurve.py sha256=8oPoY5XmsLNo_ERKKfB9rimM9liulw4C_omJjehcPB4 6049
ase/utils/linesearch.py sha256=_oLu51LUcfuORVhEdJBJv1ovGhzA9wlYa-60tyHxb_E 14538
ase/utils/linesearcharmijo.py sha256=X-f_2lJauCIQw6GoQjZwNY9A8LcxK9o5BMUBJQIPBQY 17592
ase/utils/newrelease.py sha256=ySYpKnRs8jq5EcDADsiEIegOPnPZ9rGSScwvwlqyht4 6576
ase/utils/parsemath.py sha256=ce-ZU3p7ENOuK9FwbhHdZUqj9XbNNQvSihGiz5tPRwM 5434
ase/utils/plotting.py sha256=Ip10cZjldYcH3sRzGVYRzo3Dcr7wgAsqT7eFbEYj_bk 1172
ase/utils/plugins.py sha256=P5DOPD8IE-tU8zJItcbbRQVMd6h4pWHezLP_VhqrvT0 600
ase/utils/ptable.py sha256=yKYrAOnfcyYsSJqCf-Fp9-FuHK9XcolhAMX6dq7Q7w4 887
ase/utils/sphinx.py sha256=wbHTazZz-eNmf91PSMAQlEixlnNb9lXLL5c7zmI0Um8 6580
ase/utils/structure_comparator.py sha256=QhYtviKQ7WXz8Ul-hkiPagPM9esqn6lVq4AJyzPLXF8 23221
ase/utils/timing.py sha256=vYB3MGEuAVtRFEqwAaW9XP8hiZGfoHleyehOPqQwluc 5133
ase/utils/xrdebye.py sha256=TclvNLxQFgTKsvDK_7K6_geetTzLl_wzjESPIxqED64 10013
ase/vibrations/__init__.py sha256=578nhlY9vvtchYpGcQGbb95SUwGo5N0rvbBY6GgnwAM 197
ase/vibrations/albrecht.py sha256=0taPK1cfC3pgvoA8PYAPnv5sVtJRLB-d-4x7cOD6XY0 17217
ase/vibrations/data.py sha256=5z39ev2-Q4fbXdAw4G-kFsKRhTI9Zvhq4yPOK2ErbaA 23248
ase/vibrations/franck_condon.py sha256=eULCWzO5Zy8ggS70FoSAm1574346JBLrqRfRoHKnj5k 13126
ase/vibrations/infrared.py sha256=kVOaSUQ_moguXPWKCDYOoFRUmQbvNbp_q3WiiG9JCyk 12793
ase/vibrations/pickle2json.py sha256=J4WZ5nQFuoFL_sE3J5kvplpd7RRAMGcDBtQ-Tfw2zCE 1491
ase/vibrations/placzek.py sha256=nkmdALRyIrCTZS-PCj7zKk5vBPWX26PoN5YT67xPbX8 5749
ase/vibrations/raman.py sha256=chI1a6HlSKloRr7cv9eIZbpQR3bEp4-vQ2O5h4xbZvg 12864
ase/vibrations/resonant_raman.py sha256=-Hew_DTTVGzWiS-_0r8Ni5zjgfD5rX4DQlIhHogvaS8 21426
ase/vibrations/vibrations.py sha256=gY96YO9bRV0Sk_oSzghgxLA5lrkdYIpfZv6hcgIYfFk 20624
ase/visualize/__init__.py sha256=ZK7sTmGHYRws7ljC_6bYeiULy4ya4NacwKaZLEm2buc 545
ase/visualize/mlab.py sha256=BxpbMkQmK2ZaHnLLRg230GO2E18Wh_rGh7KkEuRC8Dk 4618
ase/visualize/ngl.py sha256=f_D9mauE_qgKEyr1yDlZJ2A8jTvK6Y_lOpjf52qMO6M 4349
ase/visualize/paraview_script.py sha256=ZSBqDrQD-i6lt-ey9UGKSkqGMDUi1XNR-XbM5v_1XfA 929
ase/visualize/plot.py sha256=2cVzRGUyldncMj6ZD8RI5V2eaXgdM8NYA6em297x0BY 2671
ase/visualize/sage.py sha256=QFtztEieubdD_Y3a5Ukl8U3gQBC8cSnlmuxAPrKAuoc 954
ase/visualize/viewers.py sha256=eClhECHtVN7ZqiBMXyb4mkbYCndGlVDPX3SfbQreh2I 7311
ase/visualize/x3d.py sha256=bKRsTMoxLrIhanY_ssGSo7_wvVxVJjRwCUR_BuOfWL0 768
ase-3.23.0.dist-info/COPYING sha256=gXf5dRMhNSbfLPYYTY_5hsZ1r7UU1OaKQEAQUhuIBkM 18092
ase-3.23.0.dist-info/COPYING.LESSER sha256=3GJlINzVOiL3J68-5Cx3DlbJemT-OtsGN5nYqwMv5VE 26530
ase-3.23.0.dist-info/LICENSE sha256=IddSAlCFfSSt8Pv4DgHJZti64qLXl_FMwDi68jfP5Zk 608
ase-3.23.0.dist-info/METADATA sha256=pMRA1-gtpf0e4UmIGUppoxZ7wMt33vLfQv6Rp-ept_g 3840
ase-3.23.0.dist-info/WHEEL sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ 92
ase-3.23.0.dist-info/entry_points.txt sha256=TBnAzJndz80ntnb4KJyIydUjhHbXr3zncULWGlURoy4 42
ase-3.23.0.dist-info/top_level.txt sha256=5g9TnxOI8fLqHg8jHSmebm4dVFAjEA30k95UTEaA-5c 4
ase-3.23.0.dist-info/RECORD

top_level.txt

ase

entry_points.txt

ase = ase.cli.main:main