Wheelodex » Projects » ase-koopmans

ase-koopmans

View on PyPI — Reverse Dependencies (1)

0.1.4 ase_koopmans-0.1.4-py3-none-any.whl

Wheel Details

Project: ase-koopmans
Version: 0.1.4
Filename: ase_koopmans-0.1.4-py3-none-any.whl
Download: [link]
Size: 2069473
MD5: b118d7e2853e543b9be5a59a1581b402
SHA256: 707418891bbc4e52d42b3a94bfe6a1799a1cc96b7c87df32621719db1ec2590d
Uploaded: 2023-08-10 16:16:02 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: ase-koopmans
Version: 0.1.4
Summary: Atomic Simulation Environment for Koopmans
Maintainer: Edward Linscott
Maintainer-Email: edwardlinscott[at]gmail.com
Home-Page: https://github.com/elinscott/ase_koopmans
License: LGPLv2.1+
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Topic :: Scientific/Engineering :: Physics
Platform: unix
Requires-Dist: numpy (>=1.11.3)
Requires-Dist: scipy (>=0.18.1)
Requires-Dist: matplotlib (>=2.0.0)
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: pillow; extra == "docs"
Requires-Dist: pytest (>=3.6.1); extra == "test"
Requires-Dist: pytest-xdist (>=1.22.1); extra == "test"
Provides-Extra: docs
Provides-Extra: test
License-File: LICENSE
License-File: COPYING
License-File: COPYING.LESSER
[Description omitted; length: 2446 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
ase/__init__.py sha256=LJJqFT5uNAN0GAAY29uLokOobJ2aE4rWFaFjXS2hEkk 709
ase/__main__.py sha256=-ywa0U2DAKSwnk3VgyvviFgIG0Taj2oqCYovn540z_U 37
ase/atom.py sha256=B6FAojkw689llWRWzVJ1vcCZDLwv65fn8XQX3rTmle4 6671
ase/atoms.py sha256=KOhANeTg5CZ_GI4nEX1OGHht1FTxj_TXXFKtkBigYt0 74429
ase/autoneb.py sha256=wTHnX2bN2ZTgu53zqOw9wk36-ND0fLz79XKynnBe8PU 23739
ase/cell.py sha256=IlNDrWgEq1ahv8NwDItNHwbU0qe9raYe5Fg9KWwxbys 12282
ase/constraints.py sha256=h-XfBYdU8jAGSfNQtwZllYQcKCw8ILcm4yWCcPkSxso 100622
ase/dimer.py sha256=EEmNRZo_J7UqRItLHXaUWz_2O4wUToe34mcE6TQUhhg 45359
ase/eos.py sha256=QQbrzk2NEKw4HjlMkjgUfTxnNhAp8XeYGUSqyEsHVqI 13735
ase/formula.py sha256=FWZPiQACGFTaq9DV5tjJLmDPsWNQ3S9R0tNRY4YqDVE 14207
ase/neb.py sha256=1Q1NA7IDp6ZyB219ViQcGjZDcXP6ZWoozk-2JuuM4Wg 28877
ase/neighborlist.py sha256=xwn78ZMe2quPH87WBkiapOu0Fgyupg8FOH2DdUIkIG8 43493
ase/nomad.py sha256=zr5zuvjfeJxo3Lf6Bwza1rKjSvH3nAH-FCfp_IvIxDA 4370
ase/outputs.py sha256=svBU0teOYWsB6gKLY3l6W0ss3NBD8iKVe14ReQVMn-Q 5274
ase/parallel.py sha256=-jH2cw_dBgrbvvm_USzro0ZUBYPCwEnvaPCOFSsOsfc 9319
ase/phasediagram.py sha256=F8V-i8M9TkqB4r4A6Da0NZJzqc2FBvo5hn5SoSe4D-A 27039
ase/phonons.py sha256=LGKP3dbsOOdAUu-XeAvL9PWaN4psCATpRbAcgpRUmA0 27291
ase/quaternions.py sha256=L0nTdPfcdKugwl5MeVW6Tqpx_Jn1kl9iRxX3D5QMkdo 7956
ase/structure.py sha256=fhVBJmVlpUitzRti2StbPukMD7sXDXlM0_y8fepWTso 173
ase/symbols.py sha256=anchAydUnemPjyC1OBobYYXD5NVZNLtr4NDSoZ14kdE 4437
ase/thermochemistry.py sha256=boIJ9oyetN_0rZEKnD36nKQx1zl95et_nDHYY6VtRrk 28568
ase/units.py sha256=nyPZ1p_-SQspZYvBpXyY7LdyahxRHgBoCbqPyE8niuI 7930
ase/build/__init__.py sha256=Chl1ZG-e0s8pr_KNy2X6usYjS31TAjvhwzxyiHsjhq8 1564
ase/build/attach.py sha256=R8flIs0fh9W3NY7pyWaOt0ewjyeA4EChu7Wi6CKoaho 3864
ase/build/bulk.py sha256=Qua9JnRrc9GxwKdtoGwo-L3Y0bsxkwwuUUIB9w9XGJE 12517
ase/build/general_surface.py sha256=R6DBASUOoC0gkDJruMLrYOBPvJ39Thq8DvGdKXkNEco 3643
ase/build/molecule.py sha256=R8uv6eM92nSDn15J46FlrnTW92na-9mGK6TYxL-zt3A 7366
ase/build/ribbon.py sha256=IeumHZlVAG3yHQAZchzqaJ_EX5c0MKTnQJxD9GDZu6Q 5813
ase/build/root.py sha256=dMlQmwbDFImYYLb_pHcmnEjB0wT7jJx22dRaZwT6isw 8515
ase/build/rotate.py sha256=7UryBRcKGsqX0FdUkWqvSpCK18kfDn58YEvSIAcvBw4 2456
ase/build/supercells.py sha256=kD4DodO9pNc1lg4So4QjArSZwkT0nHOjkm2IBOGaX04 7585
ase/build/surface.py sha256=3YLy8jrZ05pvcbPTXCSnQeHBRGNZU8XdLNi4Jai-YoQ 18765
ase/build/surfaces_with_termination.py sha256=aZXb3CIK53UixTZpjasHD7M3JHtx53fi9SMdDhqx-iI 6372
ase/build/tools.py sha256=oLELwcnjuavYDQld10yoQSW2Ob9DahTWBKRA1AJrzBk 23239
ase/build/tube.py sha256=T-Xk1z-rYgBHtyMtJSdL5vmJv0O38cGbW-8eJHfGyNA 3793
ase/build/voids.py sha256=lAJtFiTdpuXt4W7s0L5Y9RHSnTu2FL74wcOUA_do0KQ 3291
ase/calculators/__init__.py sha256=Ls7AaRwW3wr8sc3eR7TccuvsbZF4z2Gk7H_HaqpVkAU 64
ase/calculators/abinit.py sha256=IBg-PAeT0xA5N2UGuLhV32P7WaBAJ_8pbfed8yA9ruk 4508
ase/calculators/acemolecule.py sha256=qVxjMnHQR1p4ulQeHUnz_atSBGNHDcWtJODK3jMYhbE 11343
ase/calculators/acn.py sha256=RSmno0SpZuLgL9jawc0gJB23ub2zxDdMCTVed5dqdM0 7914
ase/calculators/aims.py sha256=tPxrPS6vKlFKmJ64Z8WLAO3GZ5hgRNe4Y5T67Wb8eGY 36816
ase/calculators/amber.py sha256=KgMHcu3yn_9o0POnMWzurcjWwURDuCas_BLRdHpVitE 14486
ase/calculators/ase_qmmm_manyqm.py sha256=4l-rsbUYDscyEIAchCsEKKxQ0Ng3vNYC4-tV1S0fAE0 61304
ase/calculators/autodetect.py sha256=RRVb7G2tjFjcKsaTNmAQWpjBMQXWfgrlN9lThvYyMmI 3227
ase/calculators/calculator.py sha256=SQaoc9ABQlaaXoV9WVqkZYNrRTRSTfMInDl_0Ls9bc4 32320
ase/calculators/castep.py sha256=DW5ttCzECijR-FVOlliHCC85k9Z34nKvPKmvd2WX27o 127569
ase/calculators/checkpoint.py sha256=yVGZaQV8ADO7eBcbuorfiNk-8LNLsAQ-JMUexirZRWc 10526
ase/calculators/combine_mm.py sha256=zJYdsh2U3yfabSOSgakAd3_leNvrvVodC0lhdtMeEuc 10576
ase/calculators/counterions.py sha256=GHSy1CpA2gu2Q9fHTYQpQctwbukI3y854MVE1jXTUAg 2777
ase/calculators/cp2k.py sha256=ZKm9aOQilI1W_f8zmz2TjDlc-OLF3PL9ZN5d2BY7SnY 23373
ase/calculators/crystal.py sha256=qhmnCvwLi81K2Idby91im556M3NjdRvZ6dJ6PAFRF7E 16887
ase/calculators/demonnano.py sha256=EvAQsq-khLDLiCN4Q4q18anwTNLz4heM0s-YjURep-w 11742
ase/calculators/dftb.py sha256=cFZyM2P4ucivES7qHnc-DNnFe7srO5yTcCW-GDzlEaY 21628
ase/calculators/dftd3.py sha256=s_i1pQjbFwUM-LfS3rpmBFH7_nhBUu1B2dVblVS_xQI 19850
ase/calculators/dmol.py sha256=QJen26jA3qErzQOhnIEbioowZrfFs9sMpbZdaKFcc9M 22230
ase/calculators/eam.py sha256=etH3Z2RksrSdKinzNUoRJI67FtYy_W81pQBsWzlUUPQ 36830
ase/calculators/elk.py sha256=23mmZn2gJ9RtqUf2l2l2W72rKniO_ojj9c4dG3kGXvc 17272
ase/calculators/emt.py sha256=9MjAqm-oGt0KJXTUj65Nbvel7XLLFd1QPNv2BJE1eXs 9413
ase/calculators/excitation_list.py sha256=rjxHy8B-UEp2wAlZ_j52teRR8LVucurctOtj45KjnaQ 4582
ase/calculators/exciting.py sha256=K9A9Y8gYTbVfmDZqtnzKDudlhtEVhUlmuwnqsnys8tY 6034
ase/calculators/ff.py sha256=7uVP3dgnNOTefkycbmXmig6MxnyFeFDDD0-dsSQpuE8 6837
ase/calculators/fleur.py sha256=zRIQ__6kpVwqEUiTThTd3UQl38gQvM4GhfrxklSufIo 20482
ase/calculators/gamess_us.py sha256=p96b-Wpz1qoO13UIMoU9euv0Q0l6_p1L_9oAfQKrj9Q 4007
ase/calculators/gaussian.py sha256=NqrhWDLnXIS1c_gH82bWknGKdsT6JwxuzML5a5iqGQQ 4184
ase/calculators/general.py sha256=IO8UKUzLSQx0-SuzMXVhJbinkzlxRf-I3AjSvbiEy9g 1762
ase/calculators/gromacs.py sha256=ikQJ0k8Q21v-kZC9YhUYAyTksm1P2Vyct0e2Tdpu74Q 16199
ase/calculators/gulp.py sha256=ys1c9nprBegl5MADohj5NoXmaA8Rg2MSU0RNb2Vnl-8 14213
ase/calculators/h2morse.py sha256=meyvTqXrUaEyP2zGWWKm_0JijLJvGWb9KUXJ-I8TRrs 6882
ase/calculators/harmonic.py sha256=h4jfsomoeNr6xdFl6vtGCPecfLSEIGnRTieIOjd96RY 3178
ase/calculators/idealgas.py sha256=L9VAvYTJkbHGIVkt8OAd6LqoYoe2XULjMga0GWrMYkk 1097
ase/calculators/interface.py sha256=Ppv61cCS1o8MEvnvSUzm7BaulrnJz3rTHxGdLtFx6cA 4637
ase/calculators/interfacechecker.py sha256=B2I3Gji-mk4aLfa25h-9h4ZtdvhBgDp21TU59n1UU6Y 6469
ase/calculators/lammpslib.py sha256=c6TkcugkNw-0MG90dvzRA5p6Eqmqp8lR5IcPhI7KTIA 28333
ase/calculators/lammpsrun.py sha256=rga6ajMpHAlvgLqcXhF4Y9F46yPyg4bZ53QmEX-slFc 25309
ase/calculators/lj.py sha256=z1EojKIzPuuN4qI3SQ4EP91x3QBzKeQ_Xu6V27FRrNw 2986
ase/calculators/loggingcalc.py sha256=JyeKetXxo9tbUgAosryi0YXN6XspHBq3nOQr74koC1w 7142
ase/calculators/mixing.py sha256=LYbGDe6AF1J2hFM_7FdiQllec6FcZcq-vsqv3JoFUDM 5736
ase/calculators/mopac.py sha256=lDluhu36Jrz692W-784yhnmLLTk5feW6Apl09YoTMe8 9656
ase/calculators/morse.py sha256=fqomeFfYnDR5Ik24Tgnncaags-3ZySpTDWoRJxidcpQ 1840
ase/calculators/neighborlist.py sha256=V0Ko5CIYHDcPmPs5mqg9Ymkj5zvqbgs0MEDlxfLLCao 129
ase/calculators/nwchem.py sha256=RL47adXTgzAaMxNU38GMf_D5111aORwR5MVGDwtkK0Y 6569
ase/calculators/octopus.py sha256=cusMOxgVwTsefyKaTJIudOTr0cjbcjMy_OYE0I3qgWk 7615
ase/calculators/onetep.py sha256=Jzx6W5WxFFm7NB9egPBP4CoKiJy5ekZgnlvj2Ynv_LM 26789
ase/calculators/orca.py sha256=SIDfSARm6J4O6E6kAGqRw19LJAMHMXlbuFvJxZdfQPw 6047
ase/calculators/psi4.py sha256=PAryXmLOwGMBkNXaVPOieX0RI4BzfOwR2_trsWDQYqQ 8278
ase/calculators/qchem.py sha256=QxeRjNrwaT3cWQlVGOfw6gSpU1n-N5CxBHoyUhiL9Dc 7222
ase/calculators/qmmm.py sha256=w9bgnOE1XQJQiCN69ci30O7dYnpiHyV9rLfEb-iCZEk 26975
ase/calculators/singlepoint.py sha256=v65CxPIm4IL_mZRwmTu1JY6IW1im1s3ccWiC9ruq88Y 6402
ase/calculators/socketio.py sha256=BcVeZkKG2lej2bY74sjSqy1bWZxIOSKtMw6A9Tm3JMo 24292
ase/calculators/test.py sha256=-uoCDPD5dkcg9A82Iva_Jw8X59nqAQ45MBuava6GPwM 6088
ase/calculators/tip3p.py sha256=zD9EtQEanL6Ku2maq80uLD1tnkLJEdMjoHgGAdq5zb8 5434
ase/calculators/tip4p.py sha256=pOww4MRcV4lGjtOA0Gzorpp-dBSrPut5KDKVALepFWg 7345
ase/calculators/turbomole.py sha256=f9RfpnuKHiofZovxZyGU8i-XMQVleAW0ZMmMVfzEjLs 78927
ase/calculators/vdwcorrection.py sha256=hJGvTNsPqXPcS8NBQeL8Kd8n9mBPel1fk7-rxMkgosA 13577
ase/calculators/wannier90.py sha256=dNs5HUF2sP3LUtQjAkWpIhMUeKBxUqDV_bOCNRFUAEo 3056
ase/calculators/wannierjl.py sha256=1tzZl_FG1tx7toYXQyO32SFFab0oHKVxZSAIPPzTIjM 1757
ase/calculators/demon/__init__.py sha256=8X7-7zLoMerpwRtHAYepPFP3IOjjNOeq3z1XXJQqhOg 113
ase/calculators/demon/demon.py sha256=VbwHLlLdr367gvlHg2VwSh1depKAfhfDjLWF3Tko6rY 25764
ase/calculators/demon/demon_io.py sha256=JHSec0wwRZqf1HH05VpjsIPNDthF7CAZvHlml6SHars 1109
ase/calculators/espresso/__init__.py sha256=Uikbn0TfQzcBY-TnmxqrsS7Tudg2dvNe9T0gu0ppPbQ 382
ase/calculators/espresso/_espresso.py sha256=M6Nyb83ItVExuLuG00Zj5hE1mqo-XUp_zmDwczxlIco 2170
ase/calculators/espresso/_koopmans_cp.py sha256=X6WN8tgIHEtfSCpakN2YuIqm-a2FGNVM8zoDbK2r6uo 594
ase/calculators/espresso/_koopmans_ham.py sha256=bJyEloI8jAx0E_gvpcXKVqses4jvXTtKiMqNvVxCw1o 729
ase/calculators/espresso/_koopmans_screen.py sha256=Ueqb29wE09dk-DcFu3x3lnn1CnrkDt6pbxNqT5p7Hwg 685
ase/calculators/espresso/_ph.py sha256=10wipy7IT-QSkBc-6sNMIB3cCAFl-AaN18YVjEC7P_s 515
ase/calculators/espresso/_projwfc.py sha256=OyraHhDkU9zRQachNTAI9sWjTwlCZayL8G-C9xb9QKo 452
ase/calculators/espresso/_pw.py sha256=X-W3cyutjEFdjWgbPU-QnpIxysAiruas5hJTU_dRwSU 5105
ase/calculators/espresso/_pw2wannier.py sha256=FtWsuTT8SAlLkhEDo7MgQ-UHensB-yL-SDH096Gkljw 565
ase/calculators/espresso/_wann2kc.py sha256=ZrRqAS-H_ANfOVTwqbGMyUVJiTEWt1Ixgty1vaElDm0 688
ase/calculators/espresso/_wann2kcp.py sha256=q8eDfSKJXcwzgYYrJqwgF43m0rafgpAsEG9B0XTc9Zc 544
ase/calculators/kim/__init__.py sha256=jkthtvJNKGUzX2HptRkgWNNHqseX9SWJ-Up2ktmb95E 148
ase/calculators/kim/calculators.py sha256=FIA3rT34JAp7tAR99XhOPeT08BjtB_2if1wXfnxHkU0 8535
ase/calculators/kim/exceptions.py sha256=oywbMyM7PrrIAplZfyVzCs1eEkjSfENh5W2orIfGGLw 1013
ase/calculators/kim/kim.py sha256=nUVldcL9Lmrv6HrseE_Gms7x27O1XiAvI9BJRDpcT8w 8002
ase/calculators/kim/kimmodel.py sha256=TRscjT-jxmwYUNA4X-vqvxyZMe-S3wnWUTHKdZE29nY 12941
ase/calculators/kim/kimpy_wrappers.py sha256=3CpcGaXxYi6oxfqOV49hk-5cpacZuMuk7n1lWcaBj_E 15269
ase/calculators/kim/neighborlist.py sha256=Zan1X_cbsjrDbe_4VAclxKNyWc8iQpjgz_HI586m04M 16352
ase/calculators/lammps/__init__.py sha256=aglomCtugHAYfS6_N5ZRivcKxT9C5-eHpQb1OCtTMyk 270
ase/calculators/lammps/coordinatetransform.py sha256=DY_UuYb6wZhhTRSaFtaustg3fg_0UH96s_Y0JKbq098 7860
ase/calculators/lammps/inputwriter.py sha256=Ty_I7n68cRSOk8DD43H1kQq4rSggOdJ6DGfaGUY9XeE 8711
ase/calculators/lammps/unitconvert.py sha256=8VgJFjsws2YkADqoZnJWJRKVzADuyZrDzTeI6ypnwp0 4891
ase/calculators/lammps/unitconvert_constants.py sha256=rMXAtT8lCT0BbCUueT03NSE3uIaG8LAws0fODSyx_PQ 6107
ase/calculators/openmx/__init__.py sha256=yx3yjpXs_77WzjHdAWp6VRm-x1hJocCRn0iBW-Rj1x0 96
ase/calculators/openmx/default_settings.py sha256=DVI11P-Lzi2XZrkPf5r-byVHezrsx2XbesyH_Qo-Tok 11249
ase/calculators/openmx/dos.py sha256=EJ7vnV4T21ihH6pkyY_Tc4WqVAjPaWC-YYLLXFePQ4w 24092
ase/calculators/openmx/openmx.py sha256=lv-InqNwmjNP08-gacQfVrgyhDCK9uVwdmIAXnErRns 28075
ase/calculators/openmx/parameters.py sha256=6zE96vrvBd4RuG7Gn3peVHTNujl5yK1UtxWeU-rncIs 9199
ase/calculators/openmx/reader.py sha256=k1MJh8_wUxxbs4rOaPYU7DbVZJzrRj0YIfYtpZh8Z34 28636
ase/calculators/openmx/writer.py sha256=akvPsio1zUCsQWun7PEtOQmBkUCC35L7rI_oopvxw4c 25255
ase/calculators/siesta/__init__.py sha256=0uaP1ilC5OkHnurW2ZsEKWSX33gQecX5sDB2qU2pvZI 207
ase/calculators/siesta/base_siesta.py sha256=MonMkVpOKSGM6Q693j4L2k1GK9Y-ijkZlOZmbJC2Nk4 461
ase/calculators/siesta/import_functions.py sha256=cXcGNBmQI3kYHAKJBQZDLpnNfctEwB8OnZggXGitD68 14085
ase/calculators/siesta/import_ion_xml.py sha256=E6Ir7_aEcEElHRkPNtE0yItnwe9fGTHv89sryhdPkuU 5544
ase/calculators/siesta/mbpt_lcao.py sha256=HmCz9JebXwlc8EryCY_mp2e_BtgUxdcytoT_HpLC8i0 2829
ase/calculators/siesta/mbpt_lcao_io.py sha256=84idPT8JvQF59OiVPScbSUOYn6CVLTq8JUDBS-WMpEM 34880
ase/calculators/siesta/mbpt_lcao_utils.py sha256=_OELm9z6u4wIEhQNJodB50Bs05HZg1BFnHn2MIYvCoM 6767
ase/calculators/siesta/parameters.py sha256=Hm0KTgivNnkqgAc6XXiteVd3NwOhhV-h2fiD1n5YOQA 3246
ase/calculators/siesta/siesta.py sha256=lFGCDEQ3NSVC4U8-8P4-f9KorLI4WDv2EgwgBhz8eKo 64893
ase/calculators/siesta/siesta_raman.py sha256=AmQv0flxAtvsD74MuYQtYZKLwmprGR7mhKBCRQ3_bRk 25220
ase/calculators/vasp/__init__.py sha256=i9D-ZWi-kEINs7n_vhpvRESqMnOAUquMOx8XV7xNSPM 231
ase/calculators/vasp/create_input.py sha256=sJRATR-3L0Ut-XnPpVahxvV_Zf4p_778k4HydEeLGnk 82596
ase/calculators/vasp/interactive.py sha256=YkrG18Rs_yA1FJjEXV0u7f3e2vmHCsun3FOBY8OogpQ 5276
ase/calculators/vasp/setups.py sha256=jM0Ezi7TuJynuGvSHoa70tMqX4Fa7F09IyQ76g8dRJw 7030
ase/calculators/vasp/vasp.py sha256=NC3-ciI5kKgzEhvnnaFi12u0B_haBNMr5q_KQaKdKyY 45115
ase/calculators/vasp/vasp2.py sha256=ty_c89KK2aUMFTLzi4Dtxn8IhhTHEZ5srGDY3OUvTxc 39808
ase/calculators/vasp/vasp_data.py sha256=8gSf81YXUkH7OAvECJLb_kBjbkWzHpzpnRXZhQAR-4Q 6395
ase/cli/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/cli/band_structure.py sha256=_OoXnQzSwiu032lTCGLOH9yusmDJwMBV84RA7jHHdk0 5009
ase/cli/build.py sha256=qj5RjvJq1_G8icXo9HVno2jY_T5QcVHk9G4OLhtovsA 6578
ase/cli/complete.py sha256=tD-4m6s8vfiuL6UWGo1siN2D1kqzoZJTuoA3nOrj4-c 5125
ase/cli/completion.py sha256=dRd0zRSXk0oOY7US1lxeOmaBrEkyYcsy9lS6z_VfMjk 2296
ase/cli/convert.py sha256=7lWBE7fA51R7QX3EQiZ4kdvopSohKf7vHQkuWFh-Vxk 4774
ase/cli/find.py sha256=jzxM8b8tNDTX3DHLp7nKlIK_t2ott4fFvjNTqqnpOsc 3912
ase/cli/info.py sha256=GYledxIlQ1Q1H3pdfkdoOjj7oLtAEP23zMazAIVtuM4 4372
ase/cli/main.py sha256=iKdj7AYzqfg4mBy1wlBxqbC5YiTRKiL_qkIEzN-bg5c 4821
ase/cli/nebplot.py sha256=28oXuqvTTTedeShyR8IDE8w8vPbNG69w7GPiH5z0Pug 1641
ase/cli/nomad.py sha256=NcUfxcwoTjxv394QRDFH1ut7GJ6dsHrcHG7fiQOBPAU 2741
ase/cli/nomadget.py sha256=js_PH6P_IPtrMaRULxXRSYSczxUOtjH9rvhUGNqtVR0 634
ase/cli/reciprocal.py sha256=C0KwL21DSW-9vtGjAFFzMapbnM61bjIvF9qaNJk9nXc 4949
ase/cli/run.py sha256=VDvjj1Td801UTd2DkcGNdaiqwJ71wOnHHEC-RP87j2E 8276
ase/cluster/__init__.py sha256=DFzVVH-AmZzm5cpm8GMgfxmy7oHr_HBiBWIaFDzQyYw 618
ase/cluster/base.py sha256=rfA_n2f59uhpzmLNGJNDhpZ2QIFIk2AmINj75oMmuV4 4459
ase/cluster/cluster.py sha256=rX-5QO4PEXDyYuS2H3N_lKUJadyClferSyhoMvfQmTY 4086
ase/cluster/compounds.py sha256=lTiIAohVmzeR7E2t-VJ9dGyaWvEcL4cneOeBSbyA1GE 486
ase/cluster/cubic.py sha256=5YOutxsd4fjEGWOHSSNW_Cw0t4rDpTYmQ72BLzG-75A 1774
ase/cluster/decahedron.py sha256=E6IQe2v_RrAi7-9_TwcRS0U-4pf0l6dJlPAFinDPxHE 3468
ase/cluster/factory.py sha256=2xeGSYYxXTMOfRoDf4Q_LhaB47TUzfAIBgrVYmtG9po 8769
ase/cluster/hexagonal.py sha256=AiH5fAlg2DJp0ywi-JyRVL38teZDC8R8jQm2stHq_S8 2724
ase/cluster/icosahedron.py sha256=_3q1u-5VBboOp73weQF_ZASPtu3KO2coyaH2sNlPPdw 4378
ase/cluster/octahedron.py sha256=fDa5WvbRaLIgYEavYGpLDV7Q_gGZniHrPtkcyQdKtIA 2016
ase/cluster/wulff.py sha256=gX5oySqxXz_IvpBxGlwmCNM0i615ZAfe4SFm3v6jxAA 7047
ase/collections/__init__.py sha256=u6vb3RfRZ2Rhd4KHuszlTLhZbdRmiVcnuJqXfSjMW50 124
ase/collections/collection.py sha256=TiNqpwcFmVF6Xm6HcB3sej_URRB99pOdSRtFtYjj0xI 2473
ase/collections/create.py sha256=V5iRJPIKZog61BPGa5403mAzNfK8lmxN4enHhdzFb1E 1893
ase/collections/dcdft.json sha256=sLX3VSS-4LVO5inhQ9r5q4hAAoKnp9nhPlKi_MEMlxs 47588
ase/collections/g2.json sha256=b42eB5di8qe2QvOAkYssHNHvI4iD1kLNTGa7KQ3mJ0o 61935
ase/collections/s22.json sha256=VI8Wp73hkHvb1AuHP_MHQZ5DkXdaTfIrTMBjoQqH64Q 20518
ase/data/__init__.py sha256=A6RQvgD67ZHGDLkaPlbNDZ8_I__Tcc7qTgA2ea1w3tw 21462
ase/data/cccbdb_ip.py sha256=G63vXt-i0KCR-g6uhgvO8T_fI41SmdQianU-4s9Wubw 2711
ase/data/colors.py sha256=9tI8moOzZumD80rX1On5uWUacBNESjvGNer7aTJ9qTQ 5737
ase/data/dbh24.py sha256=suZuZApANRQ4R7S8T0eCMXKTSfdSNipVNA7ZRf0H-P4 18044
ase/data/extra_molecules.py sha256=H_iDJMCIt-qfmNV6uY42CNJBI2ORfa-Jx0UTkLBKqX0 7235
ase/data/g2.py sha256=4_cYJ8qF9EZrRNsHnwmOKK7xF5YUCbI1pOVxCvaemW0 1875
ase/data/g2_1.py sha256=0AtMw9rQ8DOqRgqhMyG-8ukTTDaRrpfP_dVz9qLTpmc 36361
ase/data/g2_1_ref.py sha256=cq4GOlBTIf8IYBoQHLeho6WYMx9KAmpPRa9-mtxJmk0 10516
ase/data/g2_1_ref_g03.py sha256=rwje5jW6tAsJ9YySIl3QJa38TYoTqj8x_TjJP2tueQE 614
ase/data/g2_1_ref_vasp.py sha256=Sv9ICwsnrUJDxKqgbHXcRitwcx978_uW6bbUWSlwMao 614
ase/data/g2_1_ref_wien97.py sha256=TLwC0Tyyu14Qn1y1w8WJJFgpRHSs7Ko83Xw5z1QVWrU 488
ase/data/g2_2.py sha256=xlEXns5cSAtHHmbIPL0natquOHFX36DmJ2w_vuU5VXE 77632
ase/data/isotopes.py sha256=J4eII8mYFO_pf3Zd7syCWqlpObo8UNf0OERN0n5CO08 2436
ase/data/molecules.py sha256=b2I2nSh1yumktV7cVM7H74PXcA7FbADN9E8k8netm2E 752
ase/data/pubchem.py sha256=ZdLL0xc1MLQpr02dwuZerWXHoVQxEyCm-b1VS3mUdn4 13509
ase/data/s22.py sha256=FwCRON8qlE_dkEFx74JTaCkzhcER6vafICE8KUIuhBo 198758
ase/data/vdw.py sha256=7FinIVnzYOu80sVFwKDFDQPjzjtKsdiW0rYwsGLRpB0 3020
ase/data/vdw_alvarez.py sha256=QzftlQ2VaOqQ1i2av6m4VUQv8IJvNX8RLh3SzrARZ_4 2292
ase/db/__init__.py sha256=T2P77rcu_Hxge6ndobSqty0PphrzGNpROs-5G5-z2OU 54
ase/db/app.py sha256=q1UBiAxF0j9qksMdlaLSE_fkJjrJCQeeScjgOl_uIRk 5931
ase/db/cli.py sha256=NQdNmvW84V2L9ETtGeEMPrgqNsKuZsbB32NfUg0egtA 14185
ase/db/convert.py sha256=NH28rTzMtfwexQoSds3M4amIq7omEMakualCIYjsfEo 1888
ase/db/core.py sha256=yV8d_bwNvlgnvwVkfPZsakUJ7R_2kv8m4jJppUJehp0 21849
ase/db/jsondb.py sha256=HiNhM9OyrEzjnuixkwyg4554vl4KHhTe-6Qji28znMw 6382
ase/db/mysql.py sha256=TsxTB0KDFkLo2sMKWNbu2LwDMMI_VudBTBKJjS_Jaso 8853
ase/db/postgresql.py sha256=OsADxu7Qg0RkV05K5doum15oKMi49z5ZXbDLV3h6LuA 6667
ase/db/row.py sha256=sPey-ji2_3p5jZhcmjufmkp1kHTxLs-5GodYIkq72C8 10489
ase/db/sqlite.py sha256=T2nreC6d90_ewdOEpXMj_twIMEJkhj4OhCKBMnO3nsQ 33949
ase/db/table.py sha256=I3uVOyZRnjl2RE3T2hseghh_5DZnZtVjOjtYHdDvB9s 6132
ase/db/web.py sha256=ARbdGMpqQlBAXSpGZjjJhp-S2ZTGvRQA1uhA7F3l26Q 5026
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=P5TtVBzowdrPBPRX1vSgVD0knItv1AwUHp3GlTEU-Io 4333
ase/db/templates/search.html sha256=Kyi0RW6K4ACvux1vPClgP-dWwhL-WgVaNg4I0-hL4Gg 2482
ase/db/templates/style.html sha256=V11FqXnCLRy4X0HlRROvlCk6H064GKxAvWFBDTlP3Fc 859
ase/db/templates/table.html sha256=WWtGkk62MURnVz8HJcAwMxWyuMxHx80ROcZKj2pZL3Y 4235
ase/dft/__init__.py sha256=DF3W_a66giVUrJHEkIoGJn9zQR1iSRz-stQgKcMIPko 838
ase/dft/band_structure.py sha256=ef2f0ksxzn10h7yQP6eagwLIyAXj71GDT0s7zd8upWk 384
ase/dft/bandgap.py sha256=03NbYGD4dibaFVxhzZYqFB-II0WE3x7xBvFwoeE0PDE 5582
ase/dft/bee.py sha256=Iu4G-PyHHn-FdRXZJvZhAmE82_R54M0ksYEB7oa3JDU 5438
ase/dft/bz.py sha256=TrkzsJpbp5Wf4TJZTWsFvVbjO7QxliJUIhDujRISaSM 8268
ase/dft/dos.py sha256=KBculYG9_uMQPUo0As-n2D5vTFKmj5AAIdMmGuK-pYY 9631
ase/dft/kpoints.py sha256=AqJZ4oVz9gBJ2INlt5EbfDDSuNQltgcKDlDcDxTfPt4 33845
ase/dft/pars_beefvdw.py sha256=gifTBWOu9aRgiPPile2FHvlP6L2GQiRhfs8FQPdIXzk 23680
ase/dft/pars_mbeef.py sha256=lgW5Cit4FHwvq84M-pTBKePiZU3smQ846p2ySoGXJ7Q 75989
ase/dft/pars_mbeefvdw.py sha256=p4XECqCHh9vYKeCGsvrb1IIGsyZIAuRNTN3vEXeWb3Y 14649
ase/dft/pdos.py sha256=O09j8BKkY2pHGNpqwS8DUEN7gFT_Xk5jEOHHrDF5IcY 11865
ase/dft/stm.py sha256=NjOw6atHFR1Qy8ts5XXThPkm-4pfCXF2qua-t8kpbzg 9446
ase/dft/wannier.py sha256=VcFMpa2gstfoaYfEUfdcUg4xtTe-306ww691ifsupjQ 30013
ase/ga/__init__.py sha256=Td5H6JxZ9p9YQiWmJ8myaIHx_rXPt5EvvVhIxjV6J0E 1782
ase/ga/bulk_crossovers.py sha256=X1vqBOLfjg5kDu_eda-jn_0idOmJdVSXEDlOqZ2nNoo 295
ase/ga/bulk_mutations.py sha256=KeH2HE4A2tW0pQw-nIuG081HyXPm8Y8ftmC9nDS9zoI 330
ase/ga/bulk_startgenerator.py sha256=voCSU9HAWi9m5cnMHnxv7oVqa6tbBVHTxjSRHsrtdGI 289
ase/ga/bulk_utilities.py sha256=SeMNFGP5RDH_3CFvndZdTm13H23oyEtUS8K3xnM-q8c 177
ase/ga/convergence.py sha256=8PsohUNdq7juOvk5MfJDQIYY_pDEmR4P0RjopwjCcmg 3474
ase/ga/cutandsplicepairing.py sha256=K8lZH7tdSfEOS02MVEotkJYSbvUq-g5BiqjKljasdvw 18020
ase/ga/data.py sha256=BF7EhIH3G8525gnDcBfoqlnNDUkOmgIMwkWFJhFuy9o 17413
ase/ga/element_crossovers.py sha256=S7gRgylKVrQSHDBYoIPMkYBleQ4u3rTC1Pc41VCNo8M 5640
ase/ga/element_mutations.py sha256=7Gfm_jAL0RqQz8FbzJx6RvMoO5hnc27xBVreaRl6bnc 24794
ase/ga/multiprocessingrun.py sha256=-KpUgZv7aiumbhKRlSZBxfZoy-20_-Hpb8TZYfkCdSU 1938
ase/ga/offspring_creator.py sha256=hyi-E9OXXSfadxbiCOiSgqvqmjxd37-jLg8jTG1Uv3I 4295
ase/ga/ofp_comparator.py sha256=Gogu25Zww-xI7RnTri3nIQvVNJq4eyD6GBiPREeJmKQ 21073
ase/ga/parallellocalrun.py sha256=n4yxzsCkxWXO1Wd9qjdfr8o933H0kjbWvQieqpsthTY 3380
ase/ga/particle_comparator.py sha256=5qD3kLn86ZEuBtecr3ThuEmRZgsqCxsgzM8Q6D-pyEM 1246
ase/ga/particle_crossovers.py sha256=SGDGAFVEg4DrZ-3voCI_IFSnuh5YD6RcBuSQH_ms21Q 7347
ase/ga/particle_mutations.py sha256=UjpbV78SoebKP4HyLbYyz7lqbvWb3HQ1uY36kqZfWx0 18948
ase/ga/pbs_queue_run.py sha256=ihPYhmt7drlZM8obrptBbLdO6gJZJ7ugpkQuPQcrglg 4862
ase/ga/population.py sha256=jatB1N3H8NtWpOuUeiiEVl6Q2i_ywiMp9sPEuUpwZ0M 35231
ase/ga/relax_attaches.py sha256=XDfGoVBvq3Xka2obA4aWMOqY-2tGZheTCu7ZVNi4gXQ 2519
ase/ga/slab_operators.py sha256=SdDJqJ-HRRwtQ07CHDt4SgQAb5rlkZQlullsppAEv24 20213
ase/ga/soft_mutation.py sha256=Vf0Ts5Ly1yR02ZpYe-_-3XOtYyh6WiT4mIYxKDNtB48 14320
ase/ga/standard_comparators.py sha256=vas6NpJu1py4BYwJkDqGmC8mnVzeCOnAc28u_5YpzCE 6333
ase/ga/standardmutations.py sha256=inQKU5zcg7YMwNo4br-pDV21rl7AayRLhHTiZKSiCNc 24346
ase/ga/startgenerator.py sha256=KpkYCs7j8mbutQN4OYhdfEdwNFGVG2i9wD1MZ9bZ78c 19422
ase/ga/utilities.py sha256=COXwJEbYAgvN4V63NNqneX608svwQKkR69VfE1g95RQ 22966
ase/geometry/__init__.py sha256=C3BzM195ZKuGKV1r358KGtxFdRNyToGVPdJywHwTIn8 927
ase/geometry/analysis.py sha256=NrBhUYlBOBicC-gWCSwa7qSeEWyO2jxIurtpawR9aLc 22396
ase/geometry/bravais_type_engine.py sha256=ASzrIkUoEkUTiybbzx4lkrOb2pXgpTsQgRsMH37tYKk 9256
ase/geometry/cell.py sha256=-0rjaurX_Dk7q47_ywdfZttnfCEuVXCXNLxXcJTat2w 7444
ase/geometry/distance.py sha256=vH4Gsb6OV3k9EA-jcGlyxG985Wq_5210vbbVblQYpaQ 1796
ase/geometry/geometry.py sha256=dSxKu3lXIJ-RIiSmLOIMbCdpY2-AaQc9W6UT6kWBQcA 9519
ase/geometry/minkowski_reduction.py sha256=b_daNyKuyY0fOZpahlXmrrXJoCiLDiTKbLHilSR_e1I 4581
ase/geometry/dimensionality/__init__.py sha256=vRf9fpjV0kBCTdd2TlmxK_k9o6L9Drpi0pQvMlNOWy4 245
ase/geometry/dimensionality/bond_generator.py sha256=7rYg-b3bY9yOiHwkSDxw5K6mnMD3l4iZN56tBkoVwzY 1685
ase/geometry/dimensionality/disjoint_set.py sha256=v8PHy2JxjSvFI0-f54lQ4Z5N5HIpWjSoGDennfZ9itg 1389
ase/geometry/dimensionality/interval_analysis.py sha256=mmJ16qano-GfSiERf-IVq2zfQicBloL8E_YstD95be0 6034
ase/geometry/dimensionality/isolation.py sha256=CBszDqozoEW1ixPc8pUgiiB2jnTZStOHfQe9j5cysLA 8418
ase/geometry/dimensionality/rank_determination.py sha256=-jHTM2QaKFiT5pUy6nfQ3hBtgR_2uHsm7KCl9eEeH9g 6358
ase/geometry/dimensionality/topology_scaling.py sha256=UqcL5TUpwT3o7G51ECHSQvvSNBQUafCUzQkVte5WYAE 3284
ase/gui/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/gui/add.py sha256=yHUFIcznWKjpYkyIH6hTmhK7qtAr8mSduKcaE_xiZVk 5234
ase/gui/ag.py sha256=bO9B0UVri2npN6jFLukB-WzgTxVohBJ1psUeyeLUQTk 3884
ase/gui/celleditor.py sha256=W-j9Pc4os7jZtJNqD3wjEF0hGhyaRH98VfQ5kxacgmk 5647
ase/gui/colors.py sha256=qym6qxr5Kxg03kmt65ycCHB-SDovxhFAVgvNUPI4WJw 6129
ase/gui/constraints.py sha256=ON-NzxXo1b39Eo8W93U3ctQzptBBP2JytWNgjzYI4GE 1185
ase/gui/defaults.py sha256=eXL5qzHV5DWLtOJk3nCwvk9aTSgJcg0ozex2_gGnLR4 1061
ase/gui/graphs.py sha256=g3N45T7usLOt-11Q4UetB5RfRD-YRI-u_qPqNa3biH8 2991
ase/gui/gui.py sha256=WjQ4QuD8cOEqtboRZVXLPeb5DIHhbKa8JqwQAN_n2hA 21379
ase/gui/i18n.py sha256=h4agW39F_PVYia26bEb1tpZK1r5b8eUVO84XGUdOArE 1079
ase/gui/images.py sha256=cHYQbgjMWN4boZZa_dlWcf--CkPbh62maugCS9BCMQ8 14976
ase/gui/modify.py sha256=keHkq4LMBtl_sHog4D2A_kTlI66twnSzJ1Hm1FqnWY4 1905
ase/gui/movie.py sha256=Vum4c0_4G-5ViYD7kbyU2JR0njpwL4hahxgr9Y84oTI 2984
ase/gui/nanoparticle.py sha256=56eSVVolq0LfjnlRs4v5ZYcCc6ePwjzHKNLXEryjY9g 19679
ase/gui/nanotube.py sha256=RrrA_6AFX0PZz3U3relaZi_UiPeFS4zIZjM9AT6b5Ys 2844
ase/gui/pipe.py sha256=z02UKMzV6RwVIRVkuDYsIkB2WdQbuzG9gUoKr9XhZ-M 702
ase/gui/quickinfo.py sha256=sGz1LK8yP3xDKNGI9Zwk-Yrr2zHnOMwgrr9KTUOCTG8 4291
ase/gui/render.py sha256=CYtqzdELG3ZPeO7tsZclHaFsBrbQbkrwvzT2l5F-Zq8 7272
ase/gui/repeat.py sha256=X_igArkbKNFtFy7K85lceBxV0unn6CAudqdwJjgwYsw 1138
ase/gui/rotate.py sha256=qOzL6CfDFseUs6eXcp8Bk-IwZhISALWjGkznfC6dVTg 926
ase/gui/save.py sha256=lz8R2IKKn4C54aBTb0FMUPC4Atz0Y88A9e19JF9g0WQ 2613
ase/gui/settings.py sha256=hr32Ibmhun0Hq9GNhUrIbCB5-G6uVL2KiKrsdaJG3Vs 3052
ase/gui/status.py sha256=FQ76R5WVje09jotKkAnwCyvugAnueSxtANW-S5XZBng 3348
ase/gui/surfaceslab.py sha256=1zwjgWOyltb_Fm3hwua9_vf0y40UWov5eF-mixZEkKc 9384
ase/gui/ui.py sha256=o86roRdl6O-xcNQsXhuFTKEKpaNAdqM3_qsB1MeqZ50 20063
ase/gui/utils.py sha256=tqDN8CBxWciOfW3AYcRUyqtAiRguaB8NyjLFankFQTo 219
ase/gui/view.py sha256=XGNKyGySs_GTSGTDQaADY0wHZEIR1lMOCZJKuldtr14 23334
ase/gui/widgets.py sha256=vbYU1suMFwhAusm8fJoo0XNpSLMJMJ1RywjcCg3sjnQ 2928
ase/io/__init__.py sha256=1kM4W2WQgnKPCqLo__2hvtECH-rRL4pUt3oHlV3I2ms 363
ase/io/abinit.py sha256=YuCSJJXUGAvp6iSm9udWxal30U0DUYt-yNgQ2Mg2qDI 20961
ase/io/acemolecule.py sha256=Jt_ePXAksCz7goW_-6NIuweCRUM-h6two_R992R9Ias 4228
ase/io/aff.py sha256=KZ72657oorOC3bmRH0jn1Nn0_9uccvbma1buQ1YdYQY 246
ase/io/aims.py sha256=xMZCOretNb32ha3DpIkTUMlCiFZ-HK92-E-N8HkjMgA 21842
ase/io/animation.py sha256=Nc7Fezmewn5c65-7bCX8pSoaHyyQeSzzt453E2H7SNw 817
ase/io/bader.py sha256=YMF10AdN3VrUNBxUMw8NrOcdkZ-8vY4PpIaQHeaAh6Q 1957
ase/io/bundlemanipulate.py sha256=P2p_asGp1xlgjj54kx3uxkVg9Dhb4yxO2Bd2gOHOcnI 7688
ase/io/bundletrajectory.py sha256=0qPl2Sc4XMkYZyQbDSeIQKA7zzVFdjJAeC0jzEMrzPc 43889
ase/io/bytes.py sha256=3fmjwqfCwLEJwd6cBKiF2Goe6CE86FnBo_tlgkIqODk 774
ase/io/castep.py sha256=cfAJHgmRMI-V9F93ua1mlqnYWYPSe8R4ASGOZcUp_Vw 50191
ase/io/cfg.py sha256=utzlIyJqUWO3PCXQSbyfcL29RExMPjR73Fr-Fm0j014 8649
ase/io/cif.py sha256=efLxpP6M4v7mxbpeTjMXXwftxS2T-jCAnEeNQDPnGPA 22224
ase/io/cif_unicode.py sha256=T19rLR5KgplODFvH924oAIAng2dLKe0WeFmxgj69NX0 13957
ase/io/cmdft.py sha256=nBawXbihZ5uWUJToGlTnz0j2ULSciniQjG-SvGwQynE 499
ase/io/cp2k.py sha256=nnoGayh0K5ucDOHTkVEYoR9yDgrFmCLiBDpKU_XtI1o 7769
ase/io/crystal.py sha256=BMYA3rFDUQ-ed1maAVLQofcc3wspUoPw-Rt0Ma8IVHg 3533
ase/io/cube.py sha256=Ir9Inoz1fKRPrAVfA2YfvkEusKOJL1hR6Ql5v5K8gEE 5383
ase/io/dacapo.py sha256=qOCs-fDxWKUO3Wma0HsuVAGS6NGoLVCbtaEGfquVUJw 2432
ase/io/db.py sha256=sq0Uf0Cc9UjSNj43tbwoLF16fB5Xlg7XyQezLz92Xjo 1060
ase/io/dftb.py sha256=7YlK7FrcIXdiJC4CBR6M1vZwgn2pxd4lkf8-O_q8plQ 7761
ase/io/dlp4.py sha256=w2_XnlxSV8jw48WdggQNCU697pNZd_Dk62ovBn3ioTg 7623
ase/io/dmol.py sha256=kXZm1Cd0Oxlc2B3CbYeYdpeKBe0A87Vw6i2uwxQ0sRQ 10099
ase/io/elk.py sha256=7iCepRTja8nCaxGaTak-gT-ST01Rot0EGriAyvHaeNg 2877
ase/io/eon.py sha256=jAwo31cGe3mWdwNUPF0zt_3AqXIlmfQ5-5YihGAeGCo 5196
ase/io/eps.py sha256=3e14D2DU7RYe-toxIG2OxFRk6ZU0rymFEnAx1-5Gilw 2543
ase/io/etsf.py sha256=iEG86TJd1ilJzG8ZSQsPUQmMX4AXZBEdXHvOwnRuy8g 3516
ase/io/exciting.py sha256=mRKNjHaICpiQ-fKOgvEAIa-b09dkXdo__Ja1ATEBDXU 4822
ase/io/extxyz.py sha256=X7GtxDZlE8JQlLHgRDicbCIT8s-LGGYZQmpfKnk5gck 36899
ase/io/findsym.py sha256=5O-hGXEfSC4rSL9pSNdnGfa0grU21iDXN6ukrnkokLk 991
ase/io/formats.py sha256=DZ_-Sf7EEFMNlV2cIJ0FU4DuGS4UqHylfNLFJoLYljA 31264
ase/io/fortranfile.py sha256=qXfRUPX0nmccF5VbnLJ0dzFAqIiFP5SEUg6Oah2W0dY 8325
ase/io/gamess_us.py sha256=-iMq6nQ7giv5Lvw7vJNO5REUdwPI-w6PiAH-lYM-TkU 8678
ase/io/gaussian.py sha256=hHxQUFrNDZ4L7cF7qDeYaKOREfhJ4MM0BrS8nUvseX0 14360
ase/io/gaussian_reader.py sha256=MhJOC0EaOf1rdiVJtJwyLnUKs8a8pQb_tg-fQyThE8k 5836
ase/io/gen.py sha256=Hmgg6I3R8bfhg1UL4y7XDnn23d4m9G-cOtcYJdOencw 4859
ase/io/gpaw_out.py sha256=Iz8TvXrJGaoBX_tnfQTzyZ8Y6790BVGbN6Oz6s2Pu58 8016
ase/io/gpumd.py sha256=MG9Go4sW5Fmh-CxSKQrpmE5oiDBE7ZuS7LOcdyHnYdo 9762
ase/io/gpw.py sha256=P_IAiX-De83PrZGH5Zy4G9HMKnG9Pv4R5Ct2RwgRPoQ 2868
ase/io/gromacs.py sha256=pZy2BT-uus5x-p44oewIOC1ZPHVSaHIuHRDMFcsRsnw 7004
ase/io/gromos.py sha256=H9a45hE0UuRB9YO9DkIgCrTb4KRvn64me7rL9TUJGDI 4237
ase/io/iwm.py sha256=dBS6sCR-d-nl8AwzHqxAZ4U6mhlzEJTt7Lx9YWQ6Sts 1086
ase/io/jsonio.py sha256=zSNZrNKArQnvgH8WhAMWXznmlepnCIAgHeOoYlQvzz0 4502
ase/io/jsv.py sha256=giIMrFe09KrnvGyvFNXD7kWnglkFUKlcfildhBUlijI 4731
ase/io/lammpsdata.py sha256=LA8yBhr4Ar1YU5bKqHvTmXw155rOuHU_9U3QAVEN0ww 19170
ase/io/lammpsrun.py sha256=2kFKzK2-7j4TW8-sjYzNYFGWiTtQ_FQkeJ1THBr7HSo 12967
ase/io/magres.py sha256=Q9ZRw7kfxa6b9WW9zImPtNqSkO67_k608ebEX5QXO2Q 20303
ase/io/mol.py sha256=8IV_bN8wzhQyWcLdtHhLc8If3QYL7Hfb12J-cgDJTBE 786
ase/io/mustem.py sha256=Y-C5NQ11COwU2Cf8S3P9EuRKD5KctxTMISrx0_0FyFw 9913
ase/io/netcdftrajectory.py sha256=UUXbCxOyIyHMpXHTJKKaCCI-a-I-0dBk-t0mAgvKZxw 25503
ase/io/nomad_json.py sha256=rA4N0KAHEIxEO8amFyW4yhQ4BHfhKXCd0jyYH8q0Uew 334
ase/io/opls.py sha256=-badm-PaROLuSvgQUrPy4xbJCtiM4UmRPN0AS-zmpwg 26439
ase/io/orca.py sha256=fUtPl_k7oU32qAlVlXE1JqlQAdWVHJYdNvOck31Ckuc 2038
ase/io/pickletrajectory.py sha256=qKUKa08uvlhZaHspI1NLiU--K5BlX8r1P-mpIFMetpg 22185
ase/io/plt.py sha256=0YJ8DZjrLAG9u-9nm3bFB_tWPL0edyjbU3EWZlcobM4 1557
ase/io/png.py sha256=zzghgfl6BMcNhUm1dlRz33Izhd1gB0NwMIxLSXojUuY 1562
ase/io/pov.py sha256=GLaLqmP9fyuDd3U1R-rJ08_sBCKPckXOaT3tc39ohnw 25625
ase/io/prismatic.py sha256=T14Y-6IoOQobD7CpJsEOpns2fmRb1XCI8xKgRAPSIn8 6561
ase/io/proteindatabank.py sha256=9rsAcOo-RQc5J2wJAVG7lPGQxJInFAgpr_hh8bc4qPA 7807
ase/io/py.py sha256=qQj8sNechMn4bP2EkCCxdoXgntUwc8CwD3M23VDec7g 801
ase/io/qbox.py sha256=zhsF95Y94SfGYvnqjMjHap-2RQt9ib06_MtGgA1Hn8Q 6806
ase/io/res.py sha256=Ol8ToQJyPms4mLA9rcsuztSAMBuobsFkeWli2DTNfJ4 10273
ase/io/rmc6f.py sha256=NcGezdfShYrLjszMUC3zxPH07fMRPZiE3FCAWQEL5hg 15767
ase/io/sdf.py sha256=VUTmMQXWe-LWfaYJd7pp-JCV5Iss0s6uxYI7AEcjkCM 637
ase/io/siesta.py sha256=OeZcST3GDb2VCVAgJf0Ujaf2wdNt2Q8biMi8J3_2FR0 6767
ase/io/sys.py sha256=qDWo-jF3o-jojeIpXQPEYzYKT_JQpKucUH8qbTYI3EQ 2140
ase/io/trajectory.py sha256=6RZTxoUaVGfPUtWF5tj7dI_Jr3_lACmkZ6Ol-iXmDrM 15720
ase/io/turbomole.py sha256=6a1Ao5H1ETJQISq1Ce5T7JI8F_5xRpWyukhL1zHDmyg 5479
ase/io/ulm.py sha256=QHLOociz0clf_Dv5BkE6gy97eXMzkE2Awz0rftt7rxA 20503
ase/io/utils.py sha256=0KAkUb1Cg4I6yZxeeJZR65XKVaBGBY9f0zZz2G_Zocc 10843
ase/io/v_sim.py sha256=3H98gO2l4cVfXwhLBZiAgSBF_oSBw_3Y3tjgyHpMv6I 4109
ase/io/vasp.py sha256=Yl6ELELHPfOJt5d_gKSb2-rgMkXfpEr2ViYopSL8zjE 36969
ase/io/vtkxml.py sha256=qplqo0iGhiaZJYVX0OEN2F4mjUz1K0DHlpplKebOYR8 4157
ase/io/wannier90.py sha256=UikvkqGBwBpfAPJBdJ5RIkfp4uiPMf_Tc_p4_Y4gPh0 17985
ase/io/wannierjl.py sha256=Fh-fvTeSKdMNkEo0SHdUPFw5XtLPi0LqciBIqVsy3D0 648
ase/io/wien2k.py sha256=pe3f9hiSJCLNkFIAkkJe0_AjL0deRauXxRRdqVILDIs 6045
ase/io/x3d.py sha256=eP_pfb2f7WS83N1ynXZYQbieqdf9pa0mCxmXYGf529s 4629
ase/io/xsd.py sha256=Vt7j51YmaNfV3Va8Sfq0h7acqycaMkljNTAt_Nb0mPg 14917
ase/io/xsf.py sha256=aZHC4SDmBRshU0DixPhrXyGHpZOtZlzDHOZriKStlG8 8097
ase/io/xtd.py sha256=LmRe4zNDwEkk-6V_lFm3g9ykdkM83M-MoxnNYXVJNoE 5497
ase/io/xyz.py sha256=JF44EIEr4J2JCFCWAiuBXs2oH5eXwhDWEhAdpsS3ktE 1186
ase/io/zmatrix.py sha256=zrPi_42ekv7w29wHjUf4h-1iOMBkp65pQiF0J8hXjAA 9175
ase/io/espresso/__init__.py sha256=AtkcKR9oE80IZL73rry8t9hHMDcZwOjMhzZfBcwimIk 1259
ase/io/espresso/_koopmans_cp.py sha256=EfYSJDsEKjugRiuhQtycQYsoG0u1JehRK9iiP0HlsH8 8216
ase/io/espresso/_koopmans_ham.py sha256=U2HX2sN32jZwv2ngrJb0khFVeRQaI_39XrcNLwbpMbI 4979
ase/io/espresso/_koopmans_screen.py sha256=GlVpz6tFmcfbuQPifAdGRgPh10ZRdoH5xhgfM13D6j4 3661
ase/io/espresso/_ph.py sha256=HkY22YUcELx0a8lzz92r_K3pCreje2xYUJxFQ7bXQPI 3197
ase/io/espresso/_projwfc.py sha256=MFeOhMdjBOhTHOpdKetnKQ2VQMGMBU63F_txs8bWb64 2778
ase/io/espresso/_pw.py sha256=N2imDTmdhc3A0V-ci8VEvuZMIkMRls17GjX0yBAh8qY 24235
ase/io/espresso/_pw2wannier.py sha256=wHbC4PrADsks0PNly1-wx64e-VFTNj8-VkXGzBglhXY 520
ase/io/espresso/_utils.py sha256=peXm_Hal206aqpN3XsY45SadSgiXdWUjNEcNQdqgRIg 53062
ase/io/espresso/_wann2kc.py sha256=EsPkbliqJTDvNGejlzooYaL92kVKLxV-XTsldbN642o 3339
ase/io/espresso/_wann2kcp.py sha256=cQwIBFsETzKDK8XGgA1xeAZzbuVbbBte1zZ8UAMvpPk 498
ase/io/espresso/_x2y.py sha256=S4oDDG9YvSlIxAoEeisWdhIDYlcB3pEXDJbkU8MvUGQ 2865
ase/io/nwchem/__init__.py sha256=0pKxwtnjkfj1YZCm9vk1GpscDpd2ehw_i89o0TLOZ2g 184
ase/io/nwchem/nwreader.py sha256=2Pyso80FxYpPF-m-5MJyAvtCiz_PnRYo-qS1T9vHvOU 22982
ase/io/nwchem/nwreader_in.py sha256=9QYUEbeofuQuFGcaoSUaus81WYm-J9dvniWK1M4KbRE 4511
ase/io/nwchem/nwwriter.py sha256=PL0MePCOtD3dJiRlKBGQMB8qUjjSXJHTcJWmdXipJHo 9859
ase/io/nwchem/parser.py sha256=5thoS3grnlvhj5u9xHTZA3k6r2QbBw42JWepodrvPs8 255
ase/io/octopus/__init__.py sha256=Y4diV8QDNfYqAO1x_dFFhepomOFNWUZ2lngwbuumBjk 1694
ase/io/octopus/input.py sha256=YD-9l251fOIbumfp5EmKj3zAhy8W9bjMjCyx6WzLvQA 19620
ase/io/octopus/output.py sha256=W2GXb7kZXkrgK3pTmXv7z7h7QyFnHFFbKAsSnaU5pCU 8218
ase/lattice/__init__.py sha256=6vmMf6ImMCZLm0rTHlRV93Lv84Oy3X6AIZnzNHU5w6c 50791
ase/lattice/bravais.py sha256=H7HzH7PkMGlZ_P7GS9IwPb9Nw5uUJJ-E78hXHz07Yho 19430
ase/lattice/compounds.py sha256=7z2o2sknjs_z1AJaQJ-SCLXoAm6RFNpDgL173rQVbbo 6933
ase/lattice/cubic.py sha256=mtutvrdQ9lUvMyLlQhQIt9MkaGtLRUqqskn8wNfV2A8 4436
ase/lattice/hexagonal.py sha256=Af0QcLeQ_MbJ_RNAqDY1q5EWBC_00vC4IDEuS3iW25A 4186
ase/lattice/monoclinic.py sha256=1X7Ijkvg4wXMifZe2B4TMAxJJLkexaW6MjG2ay05irU 1631
ase/lattice/orthorhombic.py sha256=gF9RkdmuIbbCRc-8QbtFRNJ0ZPx-Ya3O1iyYRV48Mhc 5429
ase/lattice/spacegroup.py sha256=2AJMNeDDILkIotPhKsShJABf93hw0h_xt0xPcrdsMBw 141
ase/lattice/surface.py sha256=6DGsiQO5vQYh4KGYfDZ-gqTXoqCgxAYHIrNCpdNt9rY 765
ase/lattice/tetragonal.py sha256=yMTo2j8w5CgUsjKL9CjI6jpiN3DRyUyYYNOqNQj_8rk 1452
ase/lattice/triclinic.py sha256=ekL5CYCyXvQKKh1sc88R3eiNcxKcaxhVVC9lJdnztJI 3218
ase/md/__init__.py sha256=3beaNuB-0n6WzkyLjJzUJTZh5booUCqMvr3VD_MjzVc 194
ase/md/analysis.py sha256=ZEIOT1xHZFEfBJbqOV2YjRyph6ARAdeZaVl8NAKo4lg 14916
ase/md/fix.py sha256=HmVRlztVuBWGpJzNXzeCk5vyhhNPokTC-rQc7LC1sSg 1235
ase/md/langevin.py sha256=mbGdtppsecCu807uWNkzXOyx3UlIRfEuqBIbfYe4eGE 5738
ase/md/logger.py sha256=0aLwBofHPusKWb1R2kLI1HYVrTfR_5x9-0hU1dlmFLU 3362
ase/md/md.py sha256=0K-heWE8FxMe4JQW0LS9s8D_2qPRPOPiJvVF4MjkMco 2223
ase/md/npt.py sha256=9LaUnivP3mDh4m97S0V0Bf8E1aD9dEVh4pS7MnZYH_A 32128
ase/md/nptberendsen.py sha256=7aAX_i1y194Hkkvflu0tIpruJu2TO8Hs4Nm7gukQnIo 6995
ase/md/nvtberendsen.py sha256=m3JDLlE3ldBIA8B_gQhmRayqZW7iN25T1P5dy7fS5Q8 3363
ase/md/switch_langevin.py sha256=JcqIrEW-WfUJMZWdhtzXsIXkax5X6LpWQ3ti9s3dZ7U 3237
ase/md/velocitydistribution.py sha256=wXRWRyGyNLKLVJAjI9lgtdksB_v0wLjf9es2vQMy_Ec 11090
ase/md/verlet.py sha256=8DReXlm8aQ4q_HrpnFPfYsjX7Uvnn8pIoJ1bUVsP-4k 1795
ase/optimize/__init__.py sha256=2cFkteErBGyrmZXJNjsDz3Kh4exe9YmUwI1ApYdM7mY 578
ase/optimize/basin.py sha256=-W4lDO-LtzzZ5amjnCa1Dz3ioHdF1CDTQCJzH5DQykw 4609
ase/optimize/berny.py sha256=oa2JzcDEmkMznlj-tmyTMVoCSTjSKwqMYJVygco_ha4 3359
ase/optimize/bfgs.py sha256=47XVF0SyjlZDwkqqkw8pPIzUjJiBCI_16gwTPPG5X98 4261
ase/optimize/bfgslinesearch.py sha256=jjVeYL6UMIknPPUlaE0_evdj1ewYGlBjDC7VJblz1Kw 8107
ase/optimize/defaults.py sha256=zrCIxG6v_fH10o2uQjgHlzYwbj28aWxtniJuirkRo2o 640
ase/optimize/fire.py sha256=qr-UhvGCj-39whUY9BphHVCKzrIKRClkI48YdhLpibU 5406
ase/optimize/lbfgs.py sha256=tUQfHrPj0gGxqm5E2Hf7WlsBqtfWBPnC9AR1tbB1jcc 11287
ase/optimize/mdmin.py sha256=dRj3Q6tbgPSXTYnsDRhTN9eCHao8qCeO8bJtovfFemk 1927
ase/optimize/minimahopping.py sha256=nkTSd-6XPDaDeXG4u6ui4iv6RuHESjA0gOAlKjQnv04 29347
ase/optimize/oldqn.py sha256=hhMVCCnq0oYxjPzY3hPZjxixui-r6yOYYQblYCP0w0k 14179
ase/optimize/optimize.py sha256=ewBG_ZxXELc6-rI7PUOUB4AlpvT6OqMKEt65Wl4PdmQ 10271
ase/optimize/sciopt.py sha256=usOFIu7vJiTY1P1Mopm3CecIkHES9cUKK3Zdk-Ffx2I 11345
ase/optimize/gpmin/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/optimize/gpmin/gp.py sha256=m3Fd6IsokRlJ0eIttO4xe3BJwAkj6gyirST1g__SOlA 7106
ase/optimize/gpmin/gpmin.py sha256=zcG57Hob2GMS7-TAlo33sa4U8fWTVDPu5g-m9HEYQsk 11339
ase/optimize/gpmin/kernel.py sha256=e_sQfwWe0VE6uKLYlQZRRTWiEt1ShfXc3C3JtkStjlk 7228
ase/optimize/gpmin/prior.py sha256=ijEAI4ps3AdsTCka2pR_O59ylWbMIJnY2rcXfLxpl-o 2302
ase/optimize/precon/__init__.py sha256=3Qut3DavsQEtVQyMGxicduwMKLe_TRlXoyVNPQ1D6UE 1222
ase/optimize/precon/fire.py sha256=DeHpLDoGrCPHWf-Doa8zIAk5pG5EmEZb1Rzpx7ryJI4 6846
ase/optimize/precon/lbfgs.py sha256=K3M2uBiRiOKkn2o1-zm2oDR8HqSqLNduWYGQzL2Za5A 15932
ase/optimize/precon/neighbors.py sha256=j8D6yhGDlVP9jQsbVrLQuBrw70XVIzEzF0xRp79-DSg 3268
ase/optimize/precon/precon.py sha256=-m_0TT7VXjpTwihtdeDPRnmKo2Aqcy9P1Fp8zR1VBGg 44384
ase/optimize/test/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/optimize/test/analyze.py sha256=ZurD9H1inAvzoipLP6th0HiRV857Dp47j2886XGyk4E 2015
ase/optimize/test/generate_rst.py sha256=H52b41jvhVEcC2P9OolmpYKhP75cTEkkmVAqnhvMMUU 1625
ase/optimize/test/neb.py sha256=0guhlzuH6rjtFkw06pA4bJx9H7fmdZGC8SsYIvMTKmI 1078
ase/optimize/test/systems.py sha256=HokV92pFHO3aCeVqfqnqocB2DFwZtSYQVRc_aoMeOsY 3852
ase/optimize/test/test.py sha256=Iuz2CksdMW8T9r1WXXUrarf8lr8rPSS5xo_J-kGv9xE 5523
ase/spacegroup/__init__.py sha256=ltBlApGC5FugDSagqARDz9ApqFCKAEMdaSznu1b3nlw 411
ase/spacegroup/crystal_data.py sha256=riI5WrKJzSK4wi29dQCFWASFvlKpDMC-sNQRWXbIuCY 2832
ase/spacegroup/spacegroup.dat sha256=itOnH2V4OPUv9O8CASwsxlAtgtZh6jYc5fLuIGJpf-w 204447
ase/spacegroup/spacegroup.py sha256=M2uku6_Nfan8JOVLIBrpU6juyY4I1IvIZqEf7ECMiT4 31751
ase/spacegroup/symmetrize.py sha256=FU1Obj8GASN34F5vCrnCMZ_EK7avT87RltFie_CXgGc 10048
ase/spacegroup/xtal.py sha256=sxMnGLTZcjOdiKboeiWRpYYknSkwsCYjV6XmFMbDhzc 7598
ase/spectrum/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/spectrum/band_structure.py sha256=cOkSX1EVel_OZvAJym4uRE4sLHuzT_YiummksIWT8Bo 13112
ase/spectrum/doscollection.py sha256=BbNJ6VhjvaG8gKX5wsI13FQKIYPygY0H_QJeecsuzoM 20330
ase/spectrum/dosdata.py sha256=S6U8m6MGZE0MFa0d8mJ8sfSUnH0tDxo0k33iDxsWYlk 18348
ase/test/__init__.py sha256=WAGAtL4Jujy4CfFimdNDeeKOidOERQecZun2Vy6WSk0 253
ase/test/bravais_2d_cell_pbc.py sha256=j6rp4uDBDC2vtroc3uMl4VQ3RGkZceDreoxMYXMq90c 629
ase/test/conftest.py sha256=0ispARgzv5nAjbgHqqzkcH1qWpyrHvEaNW_SSZLKYjI 5440
ase/test/eam_pot.py sha256=sLB6Bdj4_ef3UtRGdmS4rIpfR2lnXolXgg2xvzhCcNA 36643
ase/test/factories.py sha256=h1_f6ES7m_v1QIUB8pENCZg2kqcBEVK6_meNGrCT5d8 7925
ase/test/pytest.ini sha256=Q3f7EWexnBXg8p5lrRSrJ89gI4RLaFw93CwUoxvLLmk 468
ase/test/test_ag.py sha256=hFzy3joU8_hBjC4yRLC-1ikT14qvlBbAgFOjOH-tESs 244
ase/test/test_analysis.py sha256=JZhiB8XKUEJxdddAmpBWoxszi2c_BZDxTI_CBcDEuWI 1959
ase/test/test_bader.py sha256=qVMmPnSnmS1U7kQayHnm4ChCBxnqt9BUMnnZV4NaXqA 1001
ase/test/test_bandgap.py sha256=09DeYhxXsBu4ovRLppw3oX4qPbTzEw71Mso2v8qJwKE 2265
ase/test/test_bandpath_kpts_axis.py sha256=fX3DQm32FDlyYmaKOrifE5E8LQH4OoxRZ4Wz32V92j8 574
ase/test/test_basin.py sha256=aPsxgMcMX_Z9QyOkwWCHqgLunESHoqY2nfFTO38JXjM 1939
ase/test/test_calc_outputs_big.py sha256=96MGMpwOtjlGAN0ItTW8C5EYb24K1B_jvGKRUqrIC2o 1005
ase/test/test_calc_properties.py sha256=5xYmrKKt6-YhQSKD3Odc5TU69bBNXVgwXnumRSXQtx8 2308
ase/test/test_calculator_label.py sha256=3WNevs77WtYZ1MtES6aUSbb27i_XNWVUX5jVRxOO_N8 704
ase/test/test_checkpoint.py sha256=VjHssR6Fw76KTXrAEEFcMcU0Py4_IKBMcEfmTjg5o4w 1972
ase/test/test_cluster.py sha256=NDvUOumUafJ3BL3lKfQIF0lN0taA3s_YkM7NnLs2kjs 746
ase/test/test_com.py sha256=zo8CdTXxl6x3vchusZwDo35NwhB3ytvXjwWsU15PlFM 522
ase/test/test_cutoffs.py sha256=Air_KoNxuWuTsFe9_1h0z5sSv0coV-_1qtdXKmQwKQ0 540
ase/test/test_dependency_matplotlib.py sha256=jH8MmsVUuuXihgGJGWi5NZu_jqR8J3I_G_PVOhLLlk8 1228
ase/test/test_diffusion_coefficient.py sha256=92qznEXTdRiBMWnqzmWBzwzO7VrkUGo4TXCSMt43aQc 1729
ase/test/test_dihedralconstraint.py sha256=JB5bXojgch3we6Zr8fTaYmuAIRC5lRiglFB5zJQeRJI 2272
ase/test/test_dimensionality.py sha256=vqBBr1CUTMsxefZQAZoF-sXyjsmbrF2F9hejP80vkgE 3300
ase/test/test_dimer.py sha256=US2xWMb9910IAH0E8G4ZNZ0LReeHzDWwhf_SNyg9m1Q 649
ase/test/test_dimer_method.py sha256=FfQXgRYHuswn6ASU2oFa9efvcRKJjm7DxGIXpGGq9ik 1484
ase/test/test_distance.py sha256=c2tsP4YhXVKenl4DZQEn1zZ7A2O5QYqJJv7EYoDWwMU 1856
ase/test/test_distmom.py sha256=X5gYKvHygBJ4NtSACZ1HqZ-XaCy8nkCU1jadXUwIlfU 745
ase/test/test_doctests.py sha256=Zmb_pN6fYq4ivsKCow2y7DfACiOAZ_mxQOkLDgn13zA 986
ase/test/test_dos.py sha256=yE-1X3ccOscv8kGAmaPiDy0UUIdQU9VSEJr1eiXYSxk 1508
ase/test/test_eam.py sha256=gar42uLfuj04zyzgiPInMoYYPz-Kx55kOet9FU6LFJI 3263
ase/test/test_eam_run.py sha256=nl7vuZrB666OYKbkKjtQohgMBBfWn9RbZ3R82plqXXE 478
ase/test/test_eos.py sha256=tLXHqR8IkgAclaUCWLaZ2xxSoIJhWMctgf3s2l0Tlzg 1072
ase/test/test_example.py sha256=EP3fMemgRwrV8WusTzL7k_RAYaDE0-og4WWsxVGaP9c 906
ase/test/test_filter.py sha256=rGctdXnay0aV8Gn3tvQezWewabo3S6ZkvWZLsE9HhK4 448
ase/test/test_flakes.py sha256=nDUEOwAtL3WPA19WGlUTyCPNWqtZicvvcwhVubymiMc 4810
ase/test/test_forcecurve.py sha256=aX88inql0uCvaz8GzWdaC0pTmwchuPhMQUKB2Hs1S8A 540
ase/test/test_formula.py sha256=GqMC8iOfPPbxjf8i21IzTe1qQ5ZQu9Gmxs9cDFxzCcw 1961
ase/test/test_franck_condon.py sha256=0g4aN2YA2OZEPxX4sQj9BrfVrGL_4BrfOi2ZD9oJh_0 2335
ase/test/test_geometry.py sha256=-tJW5yF548GREEDcsvBgCk1Hcib8f7P7C7fYHlwbMu8 8008
ase/test/test_hcp.py sha256=DT0SPmTRRuNFiGdggH5VU9PfcTqHk1k7IFpxUvoTuIQ 2282
ase/test/test_imports.py sha256=FTWxIw4Y34XeH48btli_0xgSJ8nxY-pHGOIcHRMqWI0 2054
ase/test/test_ipi_protocol_bfgs.py sha256=Lx5XnvWslFM5tWOvF_rNuI7KvI7-dCvvm4mYQlTyjhE 2700
ase/test/test_issue276.py sha256=sg5fzJgsU7lieBHcNA-IcZkgVud1mrwbE4jEWs_cP6A 783
ase/test/test_kpts.py sha256=Rdfx6vjNi01cY3hznEwpU8-syxD25E90snGmSVal7YY 124
ase/test/test_kpts2kpts.py sha256=Fn36qIWDko574t8MAMSlBxmmxmn0oo9CLvqdQx5BMvE 1098
ase/test/test_lattice_lindep.py sha256=KnKr2cA_BChe7EL3spmGQbyAlOv0RVNjkf4wv5GkVzg 2582
ase/test/test_linesearch_maxstep.py sha256=DAQQJ0CIykoZyJCEx1a5Bo_u_rZI6id5pp36xn4esos 2038
ase/test/test_lock.py sha256=QeZ_pTYcaBhGlBB4DO_Zb22QuzMmB8sEvuNBmD9Zdig 265
ase/test/test_makebandpath.py sha256=VNfFEu_K4emeD9s_JW5Zvpau5-5bfiHuhPl5BSMrFQ4 438
ase/test/test_matplotlib_plot.py sha256=7DQLpI2NbT1MOoXg8n1Fyi61M2cHfSRnO5HdTRA-aW0 1955
ase/test/test_minimum_image_convention.py sha256=fcZxpvzNh6uZ-1jZUtJfmrst3cG2SUvXp7CESSymY1g 1466
ase/test/test_mixingcalc.py sha256=5-HQjw4ipt2Mo0S9e2MK20ipYSFg-q7lVct6V0lsKOc 2488
ase/test/test_mpi.py sha256=iNZ47rQ7ujqOk_CUbZJpB9EcGY-z__Ab2KgyvzaYDY4 652
ase/test/test_n2.py sha256=ejRh0IeF7ybEz5xgbNH7YtABOL2NtzWL8LP1GHeMGtE 303
ase/test/test_noncollinear.py sha256=DisxrWwvvBMPwQo9XDOVJZObFvn7W5Xmm0o3eQ6qJcs 687
ase/test/test_parsemath.py sha256=wOIoehDswnCNMLpdE-9h3AZ5IeD40V9oVtczLQkmsx4 3523
ase/test/test_pathlib_support.py sha256=iIjcA4Z8Wf15TTLFlss0tiya-FfcVi3_fKpjlHOrkyY 1775
ase/test/test_potential_energies.py sha256=BtZiBsQ5-6weXXBmBqGRjjLorPjJ6Zkn6j4xm_noplo 678
ase/test/test_properties.py sha256=sEHeucJsrKOAjeI5B9Olo_j5LukJZ_NnKCPg86GrRmQ 566
ase/test/test_pubchem.py sha256=W0djD3d8if3nZ4l4d9km5tUPNdVl8leZzQ5hoJCaIVk 1187
ase/test/test_pull.py sha256=ztDZ7PQ68ebDN3w9U8bxDjoLalL0QmzlQ5CukX0bVls 345
ase/test/test_quaternions.py sha256=dxBoqumP3jCr5XRX8u-nfJjGIK4P7_eEifnk70sRxXg 3067
ase/test/test_root_surf.py sha256=cRO-W6kNY1BReE0dYaoafSX-cwXOSrGpD5Ll_PJxctQ 1427
ase/test/test_s22.py sha256=zcaNMHl0pUyHRwQrEXGJ8WyAw9zt-K14hdjFmPD3_g0 215
ase/test/test_scientificpython_bug.py sha256=Sez2Ckgwkg34dLEYZ-CS6WfKrF1YY15FuvDkmafk3DU 953
ase/test/test_singlepoint_dft_calc.py sha256=f-86EGDBUBJ02csjXTjLGr3pDwkHQ0Q0CoKpsf7wJiY 989
ase/test/test_singlepointcalc.py sha256=ELrT1hPJGiBquzY1GRUQzz0IUsSeI9HeuZpVf9iL7Wc 1509
ase/test/test_space_group_data.py sha256=vaiF9rBhGeOI8FtdXzRspsYkV5RgWAkFny7tMVtIbd0 1669
ase/test/test_spacegroup_crystal.py sha256=3fktIWQPew_My7O3yYvez8wjkBRZcqfG1miHwdRml04 2279
ase/test/test_springcalc.py sha256=GD6u3BKrMnWAasn-cW6_N3AOZkFExjrvTe5StyjBHwI 946
ase/test/test_stm.py sha256=cmhAb9eUWrXzo4FegFIOeqckzzzt7WhPplVoFpK_q3E 795
ase/test/test_strain.py sha256=mlYDtpvavq0LO3lZI-Zv-RziNExaDN_C6H7lYhaazII 901
ase/test/test_strain_emt.py sha256=2haXXZDvTXYy0kEitYF5QjMqj9KT2YtKTyaZ90M0SrI 538
ase/test/test_stress.py sha256=Fiofusn2XSUrw_E0WcmuitdQEcFFCdBZvjOMUsBGqR8 1589
ase/test/test_structure_comparator.py sha256=4zjbtfk9PX88IzVJKqv2LoUfvcd7MBpvvO-o0pTpj-U 10011
ase/test/test_symbols.py sha256=OwZosoaZGzc5ZXhAZq5Wh-WmfV_bnHYaOdSaCesHWFQ 1129
ase/test/test_thermochemistry.py sha256=_sqwNFTPXNeppSCunrXkN9oMGoDi3CvBXGbLnj3zmUA 4290
ase/test/test_things.py sha256=n4pZgtIe_IEMK63S_LTUHG4Hvxk6mXXavVvcmKlAF-4 634
ase/test/test_timing.py sha256=9NsUWdBBZu1MLPRnzybQD1x5ANFr-UrYqw6yg62KBh8 640
ase/test/test_units.py sha256=4zKB61mar3XHc4J5sAYrs0DgEWLWRP0Elzp8K22twuQ 2236
ase/test/test_vib.py sha256=yYgCI2kZ-z6KKGUBNHsazZNoDX0iwmlB1WZRkTcQLgU 1649
ase/test/test_x3d.py sha256=I6eT4v0_D-nquPVuOqT4eIjrq3VuCTOHKGud-Qcj_8s 831
ase/test/test_xrdebye.py sha256=sf8WdJxioh1hKJt9P0ei_53L81eFcfaQcjiVfuRcU04 1237
ase/test/test_zmatrix.py sha256=I_VFRlcwVBKKwRa-UQ80C9BVmldTihOF12zkrkI8B88 2274
ase/test/testsuite.py sha256=eRhm2p6Oi0NsY8ZJq6hqp1vuwx74lsRB187KHfN16LE 9488
ase/test/abinit/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/abinit/test_abinit_Si.py sha256=otnxtPVzk2N579XULOX9ki4ddcepeTcY25RXTrM9GU8 314
ase/test/abinit/test_abinit_cmdline.py sha256=foezHxG_y14aCTKgu_UCvYl2qjSgU9dmpFSfxvfJpLo 270
ase/test/abinit/test_main.py sha256=i1auJ2fxhQUgcWDYQIKKPhtTpKlZGwRnaLRECOdPVqM 2956
ase/test/aims/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/aims/test_H2O_aims.py sha256=MWca5v7Ukx1JYM_WnT-r_UIJwRru0ca61Jlq0f0MI14 806
ase/test/aims/test_aims_cmdline.py sha256=k9chZrx4VCmn-JItzaqnzqEl-ootXSWEtAhROlkI6qg 301
ase/test/aims/test_aims_interface.py sha256=0dk9W_7wz7U1Jil3De_HeM-E1Fcdi6xGm6Zg1xIBUec 3811
ase/test/aims/test_aims_parser.py sha256=RcP5oLQ1EEFBpbvfPErI12ohdNQpms1-0Y1LlC2Il-o 73390
ase/test/amber/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/amber/test_amber.py sha256=c0PAmFvOHh3o8V1aVjnbaHvSSltHvjPnSpgZIBjWcKQ 1487
ase/test/atoms/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/atoms/test_atom.py sha256=JfbbErTPk6KlVFs9_rlKBmdy9IWWQvQpkLCdW2_Grqc 723
ase/test/atoms/test_atom_scaled_pos.py sha256=TNvQqT25abPesiqg8SPTWfOKzxX4nbmvLB3uuG5G_5c 1247
ase/test/atoms/test_atoms.py sha256=r8MtlWDDO8lfnPgWUbagJ4onyLvyEFqP5k4Jc2cLqTM 444
ase/test/atoms/test_atoms_angle.py sha256=LQ2Iu4NdaNheweuVkZH4czfczu5G8zV-eOqCCUmUOwc 1652
ase/test/atoms/test_atoms_distance.py sha256=_drFUviaZiv5BRbaoB6NAktPBfQXo-DsrL9cWiebXQk 1709
ase/test/atoms/test_atoms_formula.py sha256=7QuZ_tH8K7U3HnUW8NCFewpRbQSv8SzKmalIqEInreI 1391
ase/test/atoms/test_atoms_get_duplicates.py sha256=jkKN2PmmNI1u0tLz5I57eZn_sjZybr5o260gGl5Jz4Q 907
ase/test/atoms/test_atoms_get_positions.py sha256=Y0CZDrI4v3mE7D1GSIe0CWvNbW7rKsAlyKKG5lf7Arg 569
ase/test/atoms/test_atoms_getitem.py sha256=aT14U8ZqhZnIKWTYot2rr49tn93dBBGNlZf_Au8dy5g 425
ase/test/atoms/test_atoms_info_copy.py sha256=dbMjOzjJMoJHZWaZryxyEHtcYN-v-8LtOihuuoGLNGI 259
ase/test/atoms/test_atoms_instantiation.py sha256=QEwh2ZNdgk9xSnmYatLUHOOWXmyK03oG_eME7qD_nxw 1373
ase/test/atoms/test_build.py sha256=-e9Bo3y8bya554iMbQjoR8xC_dRaOH4zpRAa5X0woyo 621
ase/test/atoms/test_center.py sha256=06QgQTFL-1CxcKl36Fop-K60Z_lZj3X3zTq29K69nKw 2817
ase/test/atoms/test_center_nonperiodic.py sha256=Y_xbSLPY9GO21tNDBQAf3B8zuATKx1kj9ccCKkKzQ0s 762
ase/test/atoms/test_compare_atoms.py sha256=mK78H57dTxVyZHUrmifw5jxSVKQeu4Vwb1Nn00ahY5s 2097
ase/test/atoms/test_deprecated_get_set.py sha256=IHXbBN-RpN-qf5Atc7hRIHx-7YxjIT84vndvtYG8Rec 629
ase/test/atoms/test_get_angles.py sha256=kFO7vm6aoZMfAcr31iL4QTvSjcPnleySPmqzbgf_c8s 420
ase/test/atoms/test_h2.py sha256=dYxIzwMS18poYFswC7GwK2Zm6FeRPz088OjfIREmtXg 290
ase/test/atoms/test_mic.py sha256=WG99kjwBBn5QisGeCzatIXCzSHnr6gd1s2lZFTLUdaw 5313
ase/test/atoms/test_permute_axes.py sha256=U07t1Cb3zVt4HxVTaeotAfW_pI1sFTQ66yBQA-3-Jds 1181
ase/test/atoms/test_rotate.py sha256=TKdB1pzWTwWxw5x0CIOFuc-E3jIOf3VhFIcGqv7BS_s 742
ase/test/atoms/test_rotate_euler.py sha256=Pj8K9cLJB1wK84ewUfxHIPIqK-u3rugDV_VQXl-XOPA 387
ase/test/atoms/test_scaled_positions.py sha256=Ankl6sFkpdfatwkO5R-3FV_1fsOuAbVWjtInSslZfqM 138
ase/test/atoms/test_set_get_angle.py sha256=QUX5-AWO6k30Butwfmxg_6792IuPsqqJIV2GFz5D85U 476
ase/test/atoms/test_set_momenta.py sha256=0oZUcdQIfzqB2WM5NpS6KmvecxHk-1wBRjjP3PZ4_zU 943
ase/test/bandstructure/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/bandstructure/test_bandstructure.py sha256=YLiNXmaDiAXWhvK9_nsxSWuGSixFVgBlvLTvkELLcR0 1145
ase/test/bandstructure/test_bandstructure_json.py sha256=6pVBqoVIF07NU7TmMDTBKxQa6Ygd3feLrRzQY1V64No 715
ase/test/bandstructure/test_bandstructure_many.py sha256=sEI2ywlmqxImpUq5yDXa0S5ycCjTey1fQ__cb20dTss 854
ase/test/bandstructure/test_bandstructure_transform_mcl.py sha256=LWbYlftD7xerooSPaQKZfrya9Jqx-zn78q_zYhw3vds 1500
ase/test/bravais/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/bravais/test_2d_cell_pbc.py sha256=xEheAyT2j1b-UzJZ2omm2tyPMmsz211j_Dyt1BxCayw 749
ase/test/bravais/test_classification_engine.py sha256=PdZB8HbwYecSaW7385NADPmRAV5dqZnAFtH4-Ga9gAA 1091
ase/test/bravais/test_eps.py sha256=_lt7LfPfGazPLrgeEy5piXR_f0lJ3k_u8IEW7Y5qKLo 1138
ase/test/bravais/test_hex.py sha256=w9DOxf830ExC6cefPG2qKZeIutO4LJBuSwVKB7sTEZI 578
ase/test/bravais/test_lattices.py sha256=VNddq_OpTV9Nf4WN_5Tg9ynX-49pYaENNotdCsV9cLQ 1386
ase/test/bravais/test_line_lattice.py sha256=gWIroWCSkuoN2fCGIcbD71AEWHH4ZTkJ9pH2DEPKym8 317
ase/test/bravais/test_main.py sha256=eTXZdJFCrHyBSmTJdYKo2qp9fDMTc4t7dYnwvOjaL54 4121
ase/test/bravais/test_orcc_mcl.py sha256=xYLNRVxSeP6xugPhqORwVLQjUEAdL8H_kf0nGaWFTGE 1183
ase/test/bravais/test_standard_form.py sha256=VTqNYwm-UCVNEgKXRikSg3F-7VSj93qzsYhmMQSATnE 1211
ase/test/build_/__init__.py sha256=LE21KWY6zOq7PHYK2ctJFM0EoZXvuNk4UTAF6IA-s9M 99
ase/test/build_/test_attach.py sha256=0tE5ff6NfTxLvcWf8CGHQ1SlWxh1MmwmzYqbYRCcRj8 2307
ase/test/build_/test_build_bulk.py sha256=pveLp20Wz6HwWLwJbAta6YselxZfufTCxZ0X04KziSc 1639
ase/test/build_/test_bulk.py sha256=BlARa22AxzN0-TTM_442aKaQRgms2NdbKVweFVHJwcc 269
ase/test/build_/test_surface.py sha256=LUnV0tyau_LaUj0rqLsAyKiKq0p19Sw6HyQwDqcGwlI 1531
ase/test/build_/test_surface_stack.py sha256=Wlfzt1OvmizmYg9O7VocSaQoXpmXahP3K2a1sribp5A 1158
ase/test/build_/test_surface_terminations.py sha256=hP3dD0FYjKYs8yjEIA-tiSxs60e_LPs-0jysYFKc4Zk 1306
ase/test/calculator/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/calculator/test_al.py sha256=hh-9dUY0vCo4SNjfHxMnJpG2Tm-tv7J7l-H-Xvx0Zjs 1575
ase/test/calculator/test_h2.py sha256=90Y0JMjArnBnxTFBT7iKm6zkpK8HPIg5QUXztkTgZ9U 1564
ase/test/calculator/test_kpt_density_monkhorst_pack.py sha256=86EBDQXa6BSLCDbQOzCblMxVxW_qN9bhEWBAwwqZKOQ 288
ase/test/calculator/test_kpts_size_offsets.py sha256=Fuzysd24J6pQS8NCckiOeSgQtCxMm9rCu-Dz050AxOc 3242
ase/test/calculator/test_traj.py sha256=ifdSaId5Bseuz-LaXwrCw3Fk1CwcuR4Qoo1OmAwNbUo 1252
ase/test/castep/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/castep/test_castep_interface.py sha256=uCAAH-ObqXxNP8RIg7kOV4wmVBeebpfCe6iwrCtuJqY 10617
ase/test/cell/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/cell/test_cell_completion.py sha256=F6CWKSXBntmg2HQGw90iWoSGzrEIXgXB2DCQGg0WDYw 669
ase/test/cell/test_cell_conv.py sha256=OT0eKKhi1JNy75NtlZipOpgrxpgNYujNvq071JQfiKY 2617
ase/test/cell/test_cell_uncompletion.py sha256=9aMKwlDZZueD3DFvy-YiByACKOx9JIlnUKIuGhdwpRo 614
ase/test/cell/test_minkowski_reduce.py sha256=Io4jv168PI469Wm__xZ5xafBe0Wg0rYrQCwCQW4w2uc 2376
ase/test/cell/test_niggli.py sha256=fZ67z9GKXOiKfMswery1nzWvnNW_BLtSeyF26tGdJK0 9909
ase/test/cell/test_niggli_op.py sha256=SgrcS3-KqTK02hp-oWW8oVDLEsoe6Um07RSUUV5eHqI 468
ase/test/cell/test_standard_form.py sha256=oTeFbsrTdjoB_kl0-sHMFI_dGtNqaBGxZi0OMiKzqJo 550
ase/test/cell/test_supercell.py sha256=BIVuvze8rjsV4puxDDi4JC5bT1najtJy828h4RT_WTg 1877
ase/test/cellfilter/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/cellfilter/test_unitcellfilter.py sha256=4QrbrE3dPmTEbuKg_GiiLxpYmyDBR5TNevBKsBP9YF0 922
ase/test/cellfilter/test_unitcellfilter2.py sha256=31er3ly9AUBfyTTSQgVXcGpy4Cr_QXF7K1NiwaUXHZI 819
ase/test/cellfilter/test_unitcellfilterpressure.py sha256=tH1J6S-2SI3z1Za2tcSo2Yv-hZMxR7aE_n0Rh8_8Pks 1474
ase/test/cif/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/cif/test_pycodcif_read.py sha256=ckir4GtqiylHOHFprlP36l9qS8ckG7pCcPKP4l1MZoo 1190
ase/test/cli/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/cli/test_bandstructure.py sha256=vHCA7QRDlJwyVeYh_cwKUiWZr-FAVJ8t5z_1OUhAx5k 626
ase/test/cli/test_bzplot.py sha256=F_k7ZleHM-KSEi8i-KZRQ6xfFwfPbYag4EpmHy_1bmw 600
ase/test/cli/test_info.py sha256=sMP07eTqULsA-tIIumHNfbyi8ZnXfteQRrceAdh8tOU 220
ase/test/constraints/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/constraints/test_CO2linear_Au111.py sha256=wL8TyZk81D7j7Nco7ynt3K2UxriUZktGv32Ue9Cfhrg 1388
ase/test/constraints/test_external_force.py sha256=50NQoV12zilzicmputQx4WDdaCW2x6wfoKxbFZQwv-c 2118
ase/test/constraints/test_fix_bond_length_mic.py sha256=wtRpQ2xf4SZVFQaokuLzA-efZMHgS3iKWTqQBBZnyMU 856
ase/test/constraints/test_fix_symmetry.py sha256=dQwB4r8sBW7kFKa2rK6vjumRE9OWThDwlD1apx-5Bq0 4230
ase/test/constraints/test_fixatoms.py sha256=SN0yhSQIDJHxgTTfAFkSmJYvxdJASYx1zEPC4_t0Jvc 640
ase/test/constraints/test_fixbondlength_CO2_Au111.py sha256=0dDzo1QKSgqjW7aNqYR7bHezL9oiEPwj4e1n5IM1h7g 1305
ase/test/constraints/test_fixbonds.py sha256=_yynVFaYK8qFLD3mw-xhZhRo0_EeFWJSo71m5GYlhp4 535
ase/test/constraints/test_fixcom.py sha256=TkJJr-YA6j8g-ppTH-luxEaU3Pw4FgHVq_tJDqq978M 443
ase/test/constraints/test_getindices.py sha256=6ja7JnUoLNGjCWBEFfBx7gwkzpD0IC9Aqbv2y_gfkqQ 895
ase/test/constraints/test_hookean.py sha256=xlVwS0xiqs73iRRbM3YsKTKDIU9_KQKtizsRltAMwyI 2279
ase/test/constraints/test_hookean_pbc.py sha256=XAuKI7dlZmMId1lx-KoypiI8NUeyXN-uvfW52Kfs-ls 667
ase/test/constraints/test_main.py sha256=AGdVjMttqC-ICFtKBU5ZITGrjhP5xWZCCYdEn5vucZM 569
ase/test/constraints/test_mirror.py sha256=Gfr-vo7ujTyUKtiHsEjx6dGUVZ35uvqS8ROPVZj-8z0 950
ase/test/constraints/test_negativeindex.py sha256=X5VIchVWMzb9z0abk8oQjA_PYXMK_cdByMgTUey0hHk 549
ase/test/constraints/test_parameteric_constr.py sha256=gvh4bv6yiCpOubfGobVzogvfLkQPZ7mqbPxMUSEtcrA 4513
ase/test/constraints/test_repeat_FixAtoms.py sha256=ujTejKeKVORyd6paNplvVoy2xBBnnfq0NW8UfSP6jQA 1013
ase/test/constraints/test_setpos.py sha256=Iv1CBZPuJJ1ThnnA-2tfG-axK5z-S2qb-8RQmoCGZjo 887
ase/test/cp2k/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/cp2k/test_cp2k_GeoOpt.py sha256=T5Yc-NasJylHJR0sZoN4Adv7MDkOS3fpiJW6Z3gsfOY 746
ase/test/cp2k/test_cp2k_H2_LDA.py sha256=qMJNJGAC4dqAXSIxyKVr-UqkNLBuAdYDcQ_fjb5xsOk 474
ase/test/cp2k/test_cp2k_H2_LS.py sha256=3wFLc2DL-oGGtbCv4Xt9IvxdjQDXb9G6NdHJC8mNIMo 655
ase/test/cp2k/test_cp2k_H2_None.py sha256=ZlNJmoYFyO5mji0XnirpyDL6A0d3MbuVTCDlz5i--QI 1413
ase/test/cp2k/test_cp2k_H2_PBE.py sha256=mR5NifTip7FjXNAw27FDQ-6-yFPR2X9RGx9gzG3juJY 484
ase/test/cp2k/test_cp2k_H2_libxc.py sha256=m_6NaQc4t-5YPiwRWNWqJmJ6_CLf__ViQkYHGb-iALo 567
ase/test/cp2k/test_cp2k_MD.py sha256=nM-UrLTbqsrTeRpFfMSseEEi6x3X2kiffQMrBNCMzqw 1065
ase/test/cp2k/test_cp2k_O2.py sha256=ZNHWE__YbWT49-5OyVIVwCGzuZmIkGLotKP3VTzP_AA 570
ase/test/cp2k/test_cp2k_dcd.py sha256=DR1blMVyCHnv9F7nB5YwjG2aVLH-0yOcGzIRmq-lRr0 1954
ase/test/cp2k/test_cp2k_restart.py sha256=_FxbNwoOunJ7IYUqN4BdYeczB9juZ3eQeB_uA2FqYDo 521
ase/test/cp2k/test_cp2k_stress.py sha256=koZAAwn57pzGr-0LVQsGw8dzHjGZiILXNhXNOSVoLgo 2851
ase/test/crystal/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/crystal/test_bulk.py sha256=eClLXzSNexwC7QOQiXV8m28XF2qLw0EPQPWwcJsPVqw 1111
ase/test/crystal/test_graphene.py sha256=IMVxAxvT6YeyW7LHjEo8fwZNeWwp8BxhgHBGody-nCo 1263
ase/test/crystal/test_molecule.py sha256=JZo12MI4Dj3V7PhENdZ_QavhUqXJfxJ7ihjRY-MbLBM 1018
ase/test/data/Si-Si.skf sha256=O1Lhvx0GUtK0HGqjqmbDn8HLWcwEpgjq8Qdow_-pi8M 98005
ase/test/data/lammpsdata_expected_output.data sha256=g11Z-vJZCOj0m_z6DnbX-D_fQ6I3wyGeMXyRz-qT2tc 867
ase/test/data/lammpsdata_expected_output.xyz sha256=uZcEoTGF2elN3AODZYqQZECQL1fJkKsbdq9MnOaKxrQ 1751
ase/test/data/lammpsdata_input.data sha256=XJyyUQtgkpJejCmk1Vf4UxCwu7TJmZLaUOEgj3e2PHM 1726
ase/test/data/nomad-images.nomad-json sha256=4shAQFJPlu5oL_IiS8Ciu1IfetQfnbK6E_6Xsx4O2Jw 11818
ase/test/db/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/db/test_db.py sha256=0hRQUZ3z7ScH2kniizh__w74MX2jP3jiHbgGM2nKqfI 2620
ase/test/db/test_db2.py sha256=WMMXKnFHCl5vKlbAlzUPSWQZSI9DAIKNPjOLoGDSocQ 3802
ase/test/db/test_db_web.py sha256=phWJMwCThAR9OHRMTNNXansUr7nWJl0cAe5VQJeriDQ 862
ase/test/db/test_jsondb.py sha256=TQ6DAwG1BAfFPwjOftwcPtcJZ_ImAFywirVN89v23rA 528
ase/test/db/test_metadata.py sha256=GTyrPwxF-rm-kzmz5e_N0pEy7NjHK81Xt38EUs4wSDU 1292
ase/test/db/test_mysql.py sha256=8JUy8-j-KBkIZB-IEuVyG9DpsNb6p6YpupzYVQQKIwA 2917
ase/test/db/test_o2b2o.py sha256=ctEwHrTOMLVY7iODkKGvhFnKCDYidmasC_zJXkO6OTE 637
ase/test/db/test_sql_db_ext_tables.py sha256=JfrRwAdQpb_V1BtvfAHORMpmSq_8eYd8_Iedrwp-2-k 6596
ase/test/db/test_sqlite.py sha256=flptu1h9mUjxZH7ZktSdFddTqcHTJqZgUdA0xca3s7U 1616
ase/test/db/test_update.py sha256=j9mobMaauawv5l_VVL35KzCnNYYsGcgpy2eEpY8zNU8 1079
ase/test/demon/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/demon/test_h2o.py sha256=5XjdnvKYxkXhWVF8jbA35tbRHNRJvsw-m7gwqgYCiy0 2935
ase/test/demon/test_h2o_xas_xes.py sha256=-BhoNroqqGRWPJwKKq3OUC_MQYinWyVSBF9nqN0YTTo 4930
ase/test/dft/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/dft/test_bandgap.py sha256=vMpBCV7gtX33HhmUNzi6a2fHU7UTUoqEVvs47SOt2yw 603
ase/test/dft/test_dos.py sha256=J7r6dYFAYZbPnikpkmDtjhi7UxR7xzzp4vTP4tId2Uo 584
ase/test/dft/test_hex.py sha256=QRcD2N7yrZYm-bXpn_oVEFCAgIyNYMcZK54VmjICTsU 1426
ase/test/dft/test_interpolate.py sha256=VR7vwJsa68q-CLD_giexqmHvjzHtFUzRWYG-oM9gnLk 376
ase/test/dft/test_monoclinic.py sha256=BwkVn0lOHjbZZZ_rtN1mxpyJtTQpenVAjKYe2oi9Myo 1559
ase/test/dftb/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/dftb/test_dftb_bandstructure.py sha256=IFtZU_4vn2ldC5ckfrUF7--55P8kro6SCtnipCZ-FKU 2137
ase/test/dftb/test_dftb_relax_bulk.py sha256=ex4Qxxtfy_bR0_Q0rCZ0vAmO79dvHLIIwTgRpnxNb1M 463
ase/test/dftb/test_dftb_relax_dimer.py sha256=G7p3BMVT1j6eTTIjW9fMFEDrE7LrXuif8Q8D-THfeF0 508
ase/test/dftb/test_dftb_relax_surface.py sha256=i7qiYFdlR3O2HtV4UBz1bu8oqy3gQehzhnZ8DR1B--w 745
ase/test/dmol/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/dmol/test_Al_dmol.py sha256=Yc9WNkSkWAKnM9AbrfiXpegEFfzthZ6u3Via6xlTieA 215
ase/test/dmol/test_water_dmol.py sha256=77_lFok13Z2LxyjsPLE0soDWxO-PwMRVbz-1zVuWIOM 227
ase/test/elk/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/elk/test_Al_rmt.py sha256=iMjHT5Wnhp9rGnm2qcH7jrBfjUIURC2cSnazAH-TZSA 2502
ase/test/elk/test_elk_cmdline.py sha256=HPL5uVPw7i2PqLONWTygp9vPPU7u8aS6qqqCvYQwuuU 259
ase/test/emt/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/emt/test_emt.py sha256=FFt4TU1g-9-xPUvhh7DC_9rNLi890c0JIkIqog7of5w 1830
ase/test/emt/test_emt1.py sha256=VJZ-rBBkGhDWFqJETeM0UqBud186YSXbZ4YwOUjvb74 745
ase/test/emt/test_emt2.py sha256=pDQYsgYNp2iVjCFwyQTUOLFOsR2qZ7JLy8lCNCPdqyw 445
ase/test/emt/test_emt_h3o2m.py sha256=E-16pdVVGvSmjCl-Z_EMKLVcTyxrzXi6s1VOE61S3gw 2353
ase/test/emt/test_emt_stress.py sha256=KbbS7Qrptpf8EPO1rqfjqcmkMXVwZHijDL2pqVG5qLI 788
ase/test/eon/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/eon/test_eon_masses.py sha256=ThpVSsy_3_9C2vBjc4rle2Pvxl3Xm2wC-PY-CLiLY6k 871
ase/test/eon/test_eon_multi_image_read.py sha256=C9kUQ00dzn5K7mwdzrNtAZrdp6wN-pqcpfPgVrhMxy8 16274
ase/test/eon/test_eon_readwrite.py sha256=7Q1ALxd0YNlAafGjPDKKQfsFD6qNyaoCn2Z3YGKE6AI 13126
ase/test/espresso/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/espresso/test_espresso.py sha256=aTVX0XxcrvmtfB2FnxACtErszb4wFDkOFSHPrFar7iQ 832
ase/test/exciting/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/exciting/test_exciting.py sha256=FaQn3Na26IVBP1uOMIJ-qW3kHDbTmRHomC8G2XXJKt4 565
ase/test/fio/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/fio/test_abinit.py sha256=p3zmNiADNTMHY5RVHBRNK3q4QisBD69g_uOyfUfhxts 910
ase/test/fio/test_aims_io.py sha256=PG9sQFsgvlKC7jzh0J4Z5dKUNUMkfjGOoM9LEz1tLQ8 1375
ase/test/fio/test_animate.py sha256=Mua3uEjT0PcIrj8yGZ6i1UjXdhP7gkBD7t9Uw_UthU8 870
ase/test/fio/test_atoms_bytes.py sha256=E5JtXjFO68HVAbQKvu0HbgxdQeuQqq79DiH8IdkWfOI 661
ase/test/fio/test_cfg.py sha256=KcU5R4rvrM8I7XL49tBHmGszIQ3wpwSg1gTKBuucbrs 455
ase/test/fio/test_cif.py sha256=UqHmONbHiUBMu7gzWDaNlEaUx3Qlg-VgkEMh6-cNJkk 8544
ase/test/fio/test_compression.py sha256=WXzShZJs6SgelCDWYFNUIxLGzPfGKJ2265HFRK9tPKE 2892
ase/test/fio/test_dftb.py sha256=ZGA6KJUjYhZuBOD23BC3O7aOu7n0FbIUEYGln4_MJp0 2319
ase/test/fio/test_dlp.py sha256=k1b2ZoQ4bBxZxa-aA17FpwYBIhoSdBcBegpI1A8N8_E 4165
ase/test/fio/test_dmol.py sha256=vErWPdni1C1zSbvsDyNWwZR2ZfLHpZqg8PQvOxC6fuM 2247
ase/test/fio/test_espresso.py sha256=upLSTdS0PB3O8Rzabdiz4Zk_uXcvsyEwGTmcJeEyM-U 10910
ase/test/fio/test_extxyz.py sha256=41HT41msIesFHGdVamw8as_PUJWFBFegBlpaICz_K5Q 10032
ase/test/fio/test_gpumd.py sha256=kbh8jvuy8iEhzVh6X-DL7NLu90AVIDagK0lAtahDXcs 5619
ase/test/fio/test_info.py sha256=cC8qClvkREkcoYLJkL5uRxsmgpl66WTGptrRNT3O_FU 807
ase/test/fio/test_ioformats.py sha256=m0NY5qmS5H2tiuZAzcL0i8aumZIVZfl_RaynZGJbjqo 468
ase/test/fio/test_iread_path.py sha256=pPH0ljRCAqVozxfLc-H0Jqd9Lokjodqo9fyq1w-HoXw 207
ase/test/fio/test_json_arrays.py sha256=88v4CtMoO2WACIi8iZj7HBNDak6RAgYRNeMlFiKXOYg 726
ase/test/fio/test_jsonio.py sha256=Zb94LMcQXnBkPCAJhndrhq7mRCIkkTsCdWAdtKgj3sM 688
ase/test/fio/test_jsonio_atoms.py sha256=Z-jgFjdyIRDyv6fiDujF45XhnyY1Vxj0ZoHKprXpCG0 1165
ase/test/fio/test_magmom.py sha256=eW1yU6-8vB2cT4B7KnGEH44xtCInIyGPr1CRGWhmcds 377
ase/test/fio/test_magres.py sha256=KH53Zz1kC86n5rmBWeWv5uN9X9IBYZJuXfopKG_3Dxk 899
ase/test/fio/test_match_magic.py sha256=TEohXXaZ-PyJHTT9jfp4Lkh2-jPVJ09-h_Cs50SOnCs 301
ase/test/fio/test_mustem.py sha256=zr4AXDqYvrUbaXurElYwmTJYTGfzZfdnmxFsPHaCH3E 5725
ase/test/fio/test_netcdftrajectory.py sha256=uxfyg7tP4mPvc4niZ5-DQQEOSEkCFRfT4o9xPYT2Sm0 6005
ase/test/fio/test_nomad.py sha256=7Y2qr5z_OOAPWa-K1ZZqzdxjz0dB9me0VZpQ3L2ODpg 927
ase/test/fio/test_nwchem.py sha256=770Fu25AmQAzWoDzRirDHeg5UMs0rIRX-x2E-5i0UyE 371
ase/test/fio/test_oi.py sha256=T_xO1OArvhr08bmG3HBAlbtbeegvBjNrBmXLsVXLXyg 4099
ase/test/fio/test_oldtraj.py sha256=DiUfIANmUidrNFK-22ZSbCM0U1Oj014Lx7OzsxLS2OA 2365
ase/test/fio/test_parallel.py sha256=J_alLjggeLxcSKFEyMOFYHndMCSvfVZHYV7Oac5XsYw 288
ase/test/fio/test_pdb_cell_io.py sha256=t2WFt4824DIY5Fr3skztTLqy7EPBlJD_tIqXfTUyyRM 6234
ase/test/fio/test_pdb_extra.py sha256=fsTnu0JD0aPLHkEZZ-zeMsi8rZ4gCBd2Q04dsc5PXp0 2374
ase/test/fio/test_prismatic.py sha256=TIc5g2AG64l7BemGZ8H1S0_tf3XcFS39hXHVzbBRAEo 2949
ase/test/fio/test_readwrite_errors.py sha256=cM5pxSG8PZ1KMiqjDYpViBrNWJCo11etnAKt7J07-J0 417
ase/test/fio/test_res.py sha256=U7MP1ylzCq1V2NLyPkDye0_HtgtLT0ixnjdLO5-_JkM 12773
ase/test/fio/test_rmc6f.py sha256=bFSZ10SGQR32IqTIniHediRJz6QnXFPeQFsoxZv4P6s 9363
ase/test/fio/test_traj_bytesio.py sha256=1tvmkwgb_jnVmedNodKmgbomRbrnF7_gMQBJiVIqOyA 466
ase/test/fio/test_trajectory.py sha256=44Z5KWJrnLnbczS6ufRClYQXIqcqUm3fLLI_e8nkk0A 2598
ase/test/fio/test_trajectory_heterogeneous.py sha256=fzFlj1YLJjTSDDfC58saU_DD2yo21V0i0JQor-adU_s 1517
ase/test/fio/test_turbomole.py sha256=4CtDcITbYFyXGWi7cEkI0vbsKvm8awhab9F21v0x4mM 485
ase/test/fio/test_ulm.py sha256=VCR2HxNeZvAnuJf-N4LrJKiUfpG2K-TQirmviBDJvrI 1049
ase/test/fio/test_v_sim.py sha256=9-20IwX21H0gftIYbskl-imj-eoGR5lPMHhZBj6R0MY 13551
ase/test/fio/test_vasp_out.py sha256=L6p6TTSnxI5fJWWJ78XFZNPtMnk9EYwhQD0xzdPmZ-8 162701
ase/test/fio/test_vasp_structure.py sha256=Mx6O1KyGCZ-xJtZ-jdnRNbF5lrHjPZNHzKS71nZOBNI 3031
ase/test/fio/test_xsd_bond.py sha256=D03NgO_7304ygaKHmzX8lNaUE50iM2JIYjmNwxswjos 2658
ase/test/fio/test_xsf_spec.py sha256=Q66JgRlKnPuEXtSx52I0ZaAqqjDgHhKMXcQH03imE90 8700
ase/test/fleur/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/fleur/test_fleur_cmdline.py sha256=VmToDkiNwplHb-VQ5Pm2eq0ZT3082I0zejgsM0xTxd8 132
ase/test/forcefields/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/forcefields/test_acn.py sha256=Bos47lknDp1zvsmsxKI4qpv0XkNlKQvI3egrIzEqaPU 712
ase/test/forcefields/test_aic.py sha256=USEh2dzw8MEAaz-wZS1r8yCdokt3n-IYHKZxoPrjQAo 440
ase/test/forcefields/test_combine_mm.py sha256=GsWNmyeKHdKQAKX0A6mHWbPgCDccqjxiNPkbbD7UtUw 5297
ase/test/forcefields/test_combine_mm2.py sha256=tXvdtiVf8TCDPH64LA9zvFzZcmOT4Zm5HIupxr96HyM 2381
ase/test/forcefields/test_counterions.py sha256=xOeeQOZ2QzuUFoJz2CTJo0tpOiWN_1PxOxH6fc_Nm34 743
ase/test/forcefields/test_forceqmmm.py sha256=pDvMznDJ8U6cGSnhLyJjSJqVoywkGDK5eexaTh7QnSc 3466
ase/test/forcefields/test_qmmm.py sha256=m6gz2h963LVSz2n1Z7PJC4BV60s8HDVUlP3f-DmlGwA 3288
ase/test/forcefields/test_qmmm_acn.py sha256=Vpv24W44DjthS4jR0BJGpj_tIZ1iC1sNMi6ZGrcv5v0 2176
ase/test/forcefields/test_qmmm_tip4p.py sha256=20VKQa9Qp1eer2qcrwcYgzzy-06yoX1JPDL1Lc2M74o 3261
ase/test/forcefields/test_rattle.py sha256=rBXap5L9gMagQeA_zDrfzJyqJbJk0GI2WaxZzGG8vuk 1408
ase/test/forcefields/test_rattle_linear.py sha256=wECE2T0XDnbHt-AiW_FawyDK1qJRa13owD-2iEYbACU 1933
ase/test/forcefields/test_tip4p.py sha256=gEGXFglkxat9fThPW9dXWGsE43IQZURQ0259Uqx-yjY 826
ase/test/forcefields/test_tipnp.py sha256=I38dtjyHUjZHL1AYzz4CoPY1EAM6YKnvoH7R1FZLhX0 896
ase/test/ga/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/ga/test_add_candidates.py sha256=Odbb-oK3H6KK4mkDGP8UPqmwTcV2RFhcf6tHS9kx1G4 1984
ase/test/ga/test_basic_example_main_run.py sha256=slTlNxRqwgm6K8IolNCYrUkNxyEQyCLwntH1olEFa-c 5672
ase/test/ga/test_bulk_operators.py sha256=QQvtX1Iexdm9wln385kNehVyqtCl9RvLZ06h-W9KN-M 4690
ase/test/ga/test_chain_operators.py sha256=vdJmheb0Y4KvBxpRM-leF06eDci4kFEczWzhXedLDCs 3089
ase/test/ga/test_create_database.py sha256=pcl1YQy3ZKLbxrHSICIhNCH0-2bFUhIIG4F3GTAjywk 851
ase/test/ga/test_cutandsplicepairing.py sha256=71IZz_lMZ19sL-qlWLa8DA-Cwb6IqHu8J1sjy-BU2Dg 2323
ase/test/ga/test_database_logic.py sha256=L-gVq8i75gp-AuaHCJBjrgBhKpspwIrWz44nQj4lrwM 2659
ase/test/ga/test_element_operators.py sha256=npMpm2IJX4JLC3gJWkTe8g4q1ffQFXOz7pVcv8HCpIs 2587
ase/test/ga/test_film_operators.py sha256=_7PvMKjM6dCTR0s6L0KihvGFV4QKdfTUqyeJKYaURMQ 3269
ase/test/ga/test_mutations.py sha256=WZkE3iGaDDMotUGGS8mjacMvGUDfzKI2X1y1Q2wc2vY 2610
ase/test/ga/test_particle_comparators.py sha256=HG-uByk2brDpiy6fdofOw185yplJX6LRX73MmXPcTMQ 1049
ase/test/ga/test_particle_operators.py sha256=HOKllU_cm84Feduq_AOIgFrBszggaoZ5RdFMaSpeGkQ 2074
ase/test/ga/test_slab_operators.py sha256=M-LvuKxn-7xMpFEDj1FGNXqHNzYu5C-rLPZxrb5rlx4 3032
ase/test/ga/test_standardcomparator.py sha256=hkhg5cygoGLkyWiuglMYIYM-ViVAfecS4mIArizGMZc 1996
ase/test/ga/test_utilities.py sha256=j_wPvHuwIy4gDNsFviKAne2AEzOdBU7WK4Fkrw-7MWM 1481
ase/test/gaussian/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/gaussian/test_gaussian_cmdline.py sha256=LeTWVJHXCx7b5pzafHxSFtrfzWU00_J6bESdCqn3ZDk 805
ase/test/gaussian/test_h2of.py sha256=-tSwjcjLliGF1IH6W9UnOqKsbcgUZ3w-5uNI4r5xll0 2547
ase/test/gaussian/test_optimizer_irc.py sha256=qxNECb53oUd-k2EPO91Zt60mtpha58EbtrKnSYNgea8 1919
ase/test/gaussian/test_water.py sha256=7P6chLLT7vGv1ftsOXEKSSO-Tdl6fMyDD5ZYL5WX7ms 1118
ase/test/gpaw_/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/gpaw_/test_no_spin_and_spin.py sha256=vntQD0IcpftOutELgKiVk45VAxpB7gUjvUGi5sHqxTI 698
ase/test/gromacs/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/gromacs/test_gromacs.py sha256=h55Hp2cyou8d-xDvl60vsRXksWVZkCBD0cwFZYIkNbQ 2333
ase/test/gui/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/gui/test_run.py sha256=A48CInFgBrmBVu9HV9yZyGzsbpS2M40ARoKP_2nS_qk 5487
ase/test/infrared/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/infrared/test_combine.py sha256=NbelSby7nQWdrpgMI_eAfLddb-CxDfE7gXF8IbejIP4 1438
ase/test/kim/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/kim/test_cutoff_skin.py sha256=hCjRA9T41yDJ7hZZ105gyFDq8Uxq9YPZurzT4Y-J4Mg 2544
ase/test/kim/test_energy_forces_stress.py sha256=HSGEyGp40PdKJIWF0ISD9UmcIoG9j7Ipzo6V7hV9abg 1654
ase/test/kim/test_multi_neighlist.py sha256=m5JrIJvU29s6f55gJ0-YUwHwsFZcDpfoba6WsHw_cbw 1644
ase/test/kim/test_relax.py sha256=hSZgspGIGpS4pUOKJi6lyysfzKZGg2tSkML3wya1PHw 848
ase/test/kim/test_update_coords.py sha256=icaoREhhS22F5jOa10bn9OA3z0nXFQrYYzB7RZeKd1o 4896
ase/test/lammpsdata/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/lammpsdata/test_lammpsdata_read.py sha256=XqWAwrXWYLTBqeptnb6VoJKKGewQzhHxgRbrW-33ao8 1031
ase/test/lammpsdata/test_lammpsdata_write.py sha256=aNoGl8q7CgbPFgsHZNTtVKAKAnQrFLwkXqTte2M-ONA 626
ase/test/lammpslib/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/lammpslib/test_lammpslib_change_cell_bcs.py sha256=XRr7Z-EXehLiavo1aFvIJF2eyxtcZ1QehfDg-DHWnMw 1161
ase/test/lammpslib/test_lammpslib_interface.py sha256=XxUwG8NJO_KM60FC2yvSGSvk_Sw2se6Je4fiF6VfbLg 295
ase/test/lammpslib/test_lammpslib_simple.py sha256=KCJcnZDzU3iflAGujS89HNyRT48RdcxUBqK3RazpWt0 6467
ase/test/lammpslib/test_lammpslib_small_nonperiodic.py sha256=Gfk54QEhm-g6wiO1yx2LywzZolNksQqQk-vGiGzNVUc 1168
ase/test/lammpsrun/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/lammpsrun/test_Ar_minimize.py sha256=ilc1YcxSkgDvmbdurxfIXvYQDi9vkBnYKw4dQBIme9w 1230
ase/test/lammpsrun/test_Ar_minimize_multistep.py sha256=ktgJJjJc8cFKCQ6dsOvRv2-Li4rm4GEI5iisvw-dbZw 1466
ase/test/lammpsrun/test_NaCl_minimize.py sha256=NEbw9FLLzEm4tRnn4mvIhPbqzQgx1hwWv00qJ4jsGww 1709
ase/test/lammpsrun/test_Pt_md_constraints_multistep.py sha256=0pbHsM3IT7rjQV-EBsBFfQAlCuGzWJ0rdJO2GRz3oMI 1866
ase/test/lammpsrun/test_Pt_stress_cellopt.py sha256=rD4v8qTWwe9BLo5a587iAtMM8eqGFO5Xborto_M7tPA 1522
ase/test/lammpsrun/test_no_data_file_wrap.py sha256=RTMdB31tT3HwDMWzZRoDK87FYXakoGeYQvH-o_SgQjU 1565
ase/test/md/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/md/test_CO2linear_Au111_langevin.py sha256=SwN1LLZY07NJFWomhgWvGMQaX_dFN3HXlCFKG2_F5Rw 1990
ase/test/md/test_idealgas.py sha256=op9t37UScvO7HaplF0OMGb5YrgGu9qm5ngiFzUc-yzk 1086
ase/test/md/test_langevin.py sha256=UAZbevEimeChxL2POAwmGKy4Jm3Rnhm2Gtv_HWQ2v7Y 1639
ase/test/md/test_langevin_switching.py sha256=i14PscgfgWC_9DVoyepD0lilByIyBkjpuBh99Yx2kZY 1874
ase/test/md/test_maxwellboltzmann.py sha256=aobHdjDeYgQfL-rg1rFmX75KCgOjkuft6AriSkFHIDI 458
ase/test/md/test_md.py sha256=MXnMYY6DdZ9L8ixFu9G8zqd4k_uXnDFkB08qCRxT5zQ 663
ase/test/md/test_md_logger.py sha256=a-O8dz0Ep_HAFg3ilRxKxTT9_AqnZifWOYTa-6fK4zI 2784
ase/test/md/test_md_logger_interval.py sha256=7ccGxNBGeWj__tfgj_GUz4ch31NASQo2dcZPpVdVmSQ 3579
ase/test/md/test_phonon_md_init.py sha256=__nPVGMoc8K9JDRUEFIOR_iL0jElSkuqOIdwMkpZaW0 3168
ase/test/md/test_velocity_distribution.py sha256=uh3xSatvy6gIXBgFyJcwn1JvuuihExOGcOG-veW4Ld8 1515
ase/test/md/test_verlet.py sha256=pDNIAxueVfJlbQFOrsQbJlgI-9yk704X6iCfKnrkmRE 1121
ase/test/neb/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/neb/test_Ag_Cu100.py sha256=NA3Mg9FYU87zBf-15kGcQzusWwHNXjHEo_a0Usjo9xg 1882
ase/test/neb/test_COCu111.py sha256=ygZc4TOZIMBITV2pLvxrjcdyUS5mPF7SpdvHa8wyLjM 2216
ase/test/neb/test_COCu111_2.py sha256=c9b6Yazl4Te-WhPgbxa3gap-EJbCjNaAcD2CWVWrnjo 2676
ase/test/neb/test_autoneb.py sha256=dYvEKv7VExp_sz4COfN2KZOlON0vExYjOyTN4ALn7rI 1429
ase/test/neb/test_dynamic_neb.py sha256=yueIgH2LX6mc_QXjVrJjnIGpaS5dFEv8HpcVeFeSvRw 2796
ase/test/neb/test_idpp.py sha256=UUit_gac1CpxYUgeDBtRrum7ZhHSznLVk6bbG-8NOh8 575
ase/test/neb/test_neb.py sha256=H6d6YBRTwS_Kq3b_z5wBJZRpYMdwzuCjW-MmfMSZrFs 1944
ase/test/neb/test_neb_tr.py sha256=1L4cHjKd-ATWfwECeUuKLbpD3x6C4bGgGJlvefew56s 2499
ase/test/neb/test_vacancy.py sha256=jfxaZOBfTRBwxZa9KpzLZHQR0-cf0kZgS19kcJdq9go 1270
ase/test/neighbor/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/neighbor/test_neighbor.py sha256=uC6BuxzSVHYMd4u5TvtotfFaye-qDmWdGzNuUeResjw 6153
ase/test/neighbor/test_neighbor_initialization.py sha256=MZ0Kd9FEJILON1Dc_DMhqxiwIPVDob77itlLyYUnq-M 487
ase/test/neighbor/test_neighbor_kernel.py sha256=AfdWfYMT733yjNiJ3NAEsorLvlif3qKI1dcDSU1pTOA 7792
ase/test/nwchem/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/nwchem/test_nwchem_bands.py sha256=vK2k8WKRUIjaXMzYq1WvARQvThW1NMrgD3vRp-Ln4oA 353
ase/test/nwchem/test_nwchem_broken_symmetry.py sha256=spiAxOcFMJ_7UrWEaswgDaLEv02YX5ukxNcJWHJjI4Q 1977
ase/test/nwchem/test_nwchem_cmdline.py sha256=y7D6fV7Y5WhALvz2TvhVgriBGvlgmyS-0nKVyCHJWoQ 868
ase/test/nwchem/test_nwchem_eigenvalues.py sha256=vXJKoRiBuGb_0SqkxEyyIbPjfkD1dyLL_Ag6wX9C8L8 814
ase/test/nwchem/test_nwchem_h3o2m.py sha256=mGG_OLpditNe_v6lv85sYflnuJgJSzaXFD9iFsHR5b0 2204
ase/test/nwchem/test_nwchem_parser.py sha256=yObad6kNcCbiQwwOpH1suJ7IBJKgOfgrQ1h_gemiRKQ 175
ase/test/nwchem/test_nwchem_runmany.py sha256=iDULF-lrIT6p1b6f_hP-XjU3HcMq_owLMt9uNamumIg 1807
ase/test/nwchem/test_nwchem_spin_symmetry.py sha256=9WNzRkITqXpOrrgpYjU8HN0NnH6BNOmRYQzmhegLm_Y 916
ase/test/nwchem/test_nwchem_stress.py sha256=Cb3zGN6n8FYQ-0hpq1CVwWS15_tTXZNVHfgMHLpWnS0 828
ase/test/octopus/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/octopus/test_big.py sha256=3t5Bem9wUlVLnPoWD3Dx-lQBGCRflxoK8WcXGZfT4mI 3315
ase/test/onetep/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/onetep/test_onetep.py sha256=etpgzhldW2KPDm2Hwc-RITj30_DI6hfcKYgixZnZN6s 1027
ase/test/optimize/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/optimize/test_fire.py sha256=7m2Z9TLZhYSprFxiSRKdgojb7XsId5VlILctryQEzZE 872
ase/test/optimize/test_minimahop.py sha256=rLra81iGUvOWaA2arISh1pn9tzqctF9lvY7x4ETlwNw 1615
ase/test/optimize/test_optimizers.py sha256=bJLkbH2uOlNgGNvxqmZbj-Nfc9jUMcitdP_NorrLqoQ 2265
ase/test/optimize/test_replay.py sha256=Ys8ggDEPmbkqzd7qTGfydqqIf6K3umtOHhe3lO2eTlg 1049
ase/test/precon/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/precon/test_amin.py sha256=Cxo2uMFrgssFwtSYcQxxcIENpSYuJlOJYkZLBn3OawU 978
ase/test/precon/test_ff_and_precon_c60.py sha256=ecJN6HQUfwP0chgixTZRdxyOhZCnbRHCJ6LCD2g0Vr0 3319
ase/test/precon/test_lbfgs.py sha256=jFHn7xRJAW0b7CNecZTZTNTl8wmpvwYrKBvA_JkFBnQ 1577
ase/test/precon/test_smallcell.py sha256=wmzEymxI1m-fEnOYEg70tCJjX-mxmAl1HC8l8_762Go 1229
ase/test/precon/test_unitcellfilter.py sha256=8i8wfTr8UWtBtgyc2-dcD9Ms6_BgjvgUK6KRDNTcURI 955
ase/test/qbox/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/qbox/test_qbox.py sha256=-qeXNb_b2foo_rE0nS9eONVuj9i0UoLSVrc55N1uJOU 2225
ase/test/qbox/test_qboxdata.py sha256=Ahi791ACeYlCNOeLNWpV-l3rJ2pPVa42H0KVlp-gFtc 58509
ase/test/qchem/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/qchem/test_qchem_calculator.py sha256=eSBL0URvJYF0U9sSlJnEBKYQS04ZaCifZ2rFnXFNQGw 1041
ase/test/siesta/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/siesta/test_bands.py sha256=32G_wdcC-2UtLaZx2MG504cBd6rXvjHTBcYl8L056uo 338
ase/test/siesta/test_fdf_io.py sha256=F_gJKfDydnAn8yVDkKXGRB6OLG717kP0hP3ZOR1zuw8 475
ase/test/siesta/test_siesta.py sha256=X0xy_-RwtrcYzwWlHLJcmGWnWyL9cXqwsr_9lD3laVE 4097
ase/test/siesta/test_siesta_read_eigenvalues.py sha256=fdqNd0Vhl-idPUYx9S8nxhfI9-rjvBy3NQIrjZmJy1I 464
ase/test/siesta/test_siesta_version.py sha256=r-8mrr1y5uQnN7uVsKDL6THXwS4x3t4SwDHfgrNOtlM 1061
ase/test/siesta/test_siesta_zmat.py sha256=ViiT61MzonYqKzwG6tSSauA_NAzmXgyq4VbAq3sHCLs 1336
ase/test/siesta/mbpt_lcao/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/siesta/mbpt_lcao/script_mbpt_lcao.py sha256=5vgjE_ZEgZfR4hUL4xNvHRuSuDHDg4bjXkRaSPo0wKc 2516
ase/test/siesta/mbpt_lcao/script_pyscf.py sha256=cWU8xKc8nT2oMCkA5Xj6hRtTbW4IyPANCuwJtawGNaY 2012
ase/test/siesta/mbpt_lcao/script_pyscf_eels.py sha256=BujILiW5r5g96DIpcy4ISkia8UqPq_vCzyoLNaJ8zJk 2027
ase/test/siesta/mbpt_lcao/script_raman.py sha256=1K2RDSJoWsNNsh2G465OKq1MPLXl3zSofM1DfYJ0d6s 1423
ase/test/siesta/mbpt_lcao/script_raman_pyscf.py sha256=QIW9rLFyd_m3N68NuV2WJcpH3LmR6rzIL0wW0PSKQEo 1480
ase/test/siesta/test_scripts/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/siesta/test_scripts/CH4/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/siesta/test_scripts/CH4/script.py sha256=DOJvBYQs0KVH3J47iOVxu6L-B4m6RmYEFtXXJamuKyc 1372
ase/test/siesta/test_scripts/H2/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/siesta/test_scripts/H2/script.py sha256=-G-KDGK6ZlgYHyxa0gQxIEpuxW6kqk-Qhj93hKzO4fw 614
ase/test/siesta/test_scripts/Na8/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/siesta/test_scripts/Na8/script.py sha256=5IthEzO8pzLTc80oBDQUCEra3e8N5yYcDxRqfysRn2w 1409
ase/test/siesta/test_scripts/Si/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/siesta/test_scripts/Si/script.py sha256=SZWyqlUZnbalZ6YoCwZEdH2kYqoYxa7p_kKz8C5i928 789
ase/test/spectrum/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/spectrum/test_doscollection.py sha256=C3UP7FQy9Nxg4IFBg-v6gHkAFhTSXSzLl--7-Z6NDPo 16357
ase/test/spectrum/test_dosdata.py sha256=5ChwXrNGBI9xB38ukoYE47uaLmA4Ow-kgm6AnPq68bo 13526
ase/test/standardization/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/standardization/test_ch4_energy.py sha256=Swffi4ZDPtUjnEx3g7E5z_2RpbY-tvW1xC3odL6XE-U 2210
ase/test/standardization/test_properties.py sha256=zIEpPJvNjp-I80Lhrk8t__QWnBz4zxcr8g3JYfubiTw 499
ase/test/transport/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/transport/test_transport_calculator.py sha256=qCdNOCQrN8nSj-wnflVst7820GxAMrGV56uuwZkhRTA 2455
ase/test/turbomole/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/turbomole/test_turbomole_2h2o.py sha256=WJkimlicp5Zf7VWv6VuXKsP0IPCr7V1UQCnVfxtS6hU 3002
ase/test/turbomole/test_turbomole_H2.py sha256=AdQ_RCoHT8H4V08-_dYLJpnw1O9QRed5-m2xhCroTcI 405
ase/test/turbomole/test_turbomole_au13.py sha256=58wMOIyG6n6wLvwGYmPpP-QhVio6lUOfnoAKDAYiebw 1416
ase/test/turbomole/test_turbomole_h2o.py sha256=3TieJpcOFd1z0iT1GmIYOjxRwddClG2Wlpo9baf8R70 1508
ase/test/turbomole/test_turbomole_h3o2m.py sha256=Q0OKqZyguWEzSRoaGLHP385RtPJU5QNfp4TWFZgV4-0 2426
ase/test/turbomole/test_turbomole_optimizer.py sha256=WXoZgbv_UWrUOIMPR_EXb5SZuRNJF2XrRZPaVhiT9tA 509
ase/test/turbomole/test_turbomole_qmmm.py sha256=rgUe-cER3WS1cvX9o_YYmRj6Qxs_iGI6CCSUDh9BxK8 2724
ase/test/vasp/__init__.py sha256=fWFr3WLHoD5y9gQ1IqMLjcYgRsW60842qfGzaYMRX44 617
ase/test/vasp/test_vasp2_Al_volrelax.py sha256=ylhvaecCyNEfVCyNyIpZ15sFxIa_tz5SK6-lE_BfbPU 2462
ase/test/vasp/test_vasp2_cell.py sha256=ukvyciIfyXcEJhNKz2tLWm9rdPbihQm697K1JidMAec 467
ase/test/vasp/test_vasp2_check_state.py sha256=iWbUo7kwx8ysmTLGAfMlE2TlSgnpvdrcjx_jN_1cyrg 2500
ase/test/vasp/test_vasp2_co.py sha256=mqFF_6hGqiEwsCAyLW5Gokl2F_qH1EGeE0lOVYwiCPg 1917
ase/test/vasp/test_vasp2_import.py sha256=7QwEBp2utVqoVkEpivP8d5cR-G9N3hfy-p_ZrC5IGDE 272
ase/test/vasp/test_vasp2_kpoints.py sha256=Ajz5rR_3jQ6ANfRyffLz7Zni_HB7d8C2zEMkackO8mk 2910
ase/test/vasp/test_vasp2_slab.py sha256=b5FfDgYRufF7lfj2mp4Tm0MZk-654o27HgAje_fRlEQ 1343
ase/test/vasp/test_vasp2_wdir.py sha256=NEfgfbEcKxyrYc-42llA3Hg40S_ubSJQuq-wHN8wgcc 2687
ase/test/vasp/test_vasp2_xc.py sha256=hVnNUyilDSSChKWhMVN5vlebJQn8EedwWdo-jSGt4RY 989
ase/test/vasp/test_vasp2_xml.py sha256=ypFzOvyX7wdtqFBlZr8QKn7i3-c94HxPu5kVZFJsnRk 1379
ase/test/vasp/test_vasp_Al_volrelax.py sha256=_-8N845jInsY8KSXkjC9hYYDXpL-Z-pgSPcXvZMV6jY 2438
ase/test/vasp/test_vasp_cell.py sha256=mtsyA_w5AMFqeG9mc3DTXqImhBT-ETQjl7tV7pLg6m8 445
ase/test/vasp/test_vasp_charge.py sha256=sWJsvIvKNQkNatnq4w2_Ncsxssww70nKcwnM4Ja2hRM 2211
ase/test/vasp/test_vasp_co.py sha256=J3F5itcYOiL_ooawvmI9RINcd65GBu4hFH6WhSuGnhw 1893
ase/test/vasp/test_vasp_input.py sha256=2EDx7F11OTQvzSQLw6AbHHNrHjrarKUmZ2EKEbJH_j4 1557
ase/test/vasp/test_vasp_kpoints.py sha256=cyD-fom1KhLvt-VVcvIQh9sMXyZlbcMO39vjyPznlew 2885
ase/test/vasp/test_vasp_net_charge.py sha256=YydqIlkYk9gB7_QIBNZOEL1sLVOx9cKFQGLpk2eXSuE 2642
ase/test/vasp/test_vasp_setup.py sha256=z_QSbOXhhKJB0CCaLZ1ES5R91EvfqnvFNh2_UikBJKg 2130
ase/test/vasp/test_vasp_xc.py sha256=Eo6VW0LBzv2b_eFRqnEbKTl1oh6tIm4C4ObrnSC5xWE 1151
ase/test/vasp/test_vasp_xml.py sha256=BQtW-HQPKJhc8t_xfbXKmMSUtz9n5rFVF2s1TzaIcYk 1935
ase/test/vibrations/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ase/test/vibrations/test_albrecht.py sha256=knnQBQu6B1CTYQf0HyIVu1IbqUk2EC0oCZa6MIbZMmk 1664
ase/test/vibrations/test_placzek.py sha256=p8YTxOlcgOCW_FNeRQtySL0UrA50F-cX0BgfRHPpAuk 2485
ase/test/vibrations/test_profeta_albrecht.py sha256=hIORL-NuKUwWPODxODVws6LQyBRYe-0w4ORFQDA1FMg 1713
ase/transport/__init__.py sha256=rkEtNJ14tD20YhuFNSOJjGFmFpafnLorUj5CKpOrP84 79
ase/transport/calculators.py sha256=uUAniiY36kifh1dKwht7AfojEEy8sjfL52liAbe9tcI 17174
ase/transport/greenfunction.py sha256=_BNKKn_fd-Nbi6sb99U1VSNfVJqot2vSGN02qHpnlsY 2120
ase/transport/selfenergy.py sha256=8hh-bozAemHWrHMcabfBk5LPmaPuCvImS8VGzr-4DH8 2861
ase/transport/stm.py sha256=iHwgbqKIJYpR1bCbAmcWeX4MyfJ5_o7AXa-seKa5VnA 7535
ase/transport/tools.py sha256=ua-zVeJ98L5hexbnKbigBsnLW8HsEOWZ8nwPK2cL4Sw 14665
ase/utils/__init__.py sha256=FsY7PE93A9o87h-HlcQ69W4TkOZy5osgPcSDPMU8eLM 13911
ase/utils/arraywrapper.py sha256=YCu7C8mwpJ2WR4YR-fou3ktUyWXU1-_6Rfj3gS0Kcl4 3068
ase/utils/bee.py sha256=03Hw2tv9nbdh8H8BPTYoFSKIUGMsgxfhGheucwChlc0 1379
ase/utils/build_web_page.py sha256=eqljncdi2pO43WNKs-hd4ZreEMUOcANXaBQdBqgOyeU 1704
ase/utils/cext.py sha256=8TFqoRn8nl2y7wnugZHmr9JAVRT6-JQXCgbqMK04foQ 519
ase/utils/deltacodesdft.py sha256=zZWhlXSTJDAl6ssGqT-cTOLeEHZAm7fSWbnsCqM2FEQ 1033
ase/utils/distance.py sha256=tCy7fveiICSPqg6jQtECc_QX_tBDMLr_OODwegDU05M 113
ase/utils/eos.py sha256=rI0l_USzWdFk5NMY9H7v-KHEjvumPNFQg1Eqi_rZjpg 117
ase/utils/extrapolate.py sha256=_n2zWHQPOfFaLr6OW8il_A9p4HQTvDr_eKGpYrNlguM 224
ase/utils/ff.py sha256=kslYj3o0TLNHcpoBziXkpijxJ_R0O0AbODIlC3DfwWE 25502
ase/utils/forcecurve.py sha256=DK8Lo6Hh3J_Lzfyloa2Akgfnvgeih_Qx_TBZgcssdWU 6047
ase/utils/geometry.py sha256=qVzENSBK2fyERVVuy5mdl17EFpMYUXqGOWmbQc696PM 415
ase/utils/linesearch.py sha256=5y80qH4VElFD9rJnQIaXw-FIW0bx1WMzEooMul0OOuo 14388
ase/utils/linesearcharmijo.py sha256=wsLXyQN9I2y3qwLekHtR-nXBqVp2CGCTlgSxTlZsyqE 17430
ase/utils/newrelease.py sha256=AeVK0amtsVuW6A_g52hNktLdBFm2Xowot1I2EAm3L-8 7411
ase/utils/parsemath.py sha256=TLv8vVgaBWTFPL3Ggai-NKho7Uj3J0jHoPCWspaE54E 5345
ase/utils/plotting.py sha256=-KZ2F1hLQxK5XLpKQX8fG3mIgOW6SAjjLUELhwJ96Z8 1250
ase/utils/sphinx.py sha256=9sWhrkYGn6AjId3ey4GosXfp-uP9J35_427A8p-81t4 5593
ase/utils/structure_comparator.py sha256=MVS9jDgpNwZz9CupQDlPfhCbogCNDi3tZq504KEU3hw 23363
ase/utils/timing.py sha256=rM9VMOfsq60kKJMwa4_xeIexvWoY4_Dg5ZoDm4Ihwjw 5147
ase/utils/xrdebye.py sha256=WE-xKfbjmHXZaUh5yihc8ceqfe_Frok8YYyRv4gB_pM 10100
ase/vibrations/__init__.py sha256=CGZASBGlCzMYBgTILmNpQ3qJhbNi4FqShYHgQBRbM6Y 131
ase/vibrations/albrecht.py sha256=i6vrQMuR3nVkI9dUbh5isxfXn7Ah4Bj-1m2mAasDWIo 18629
ase/vibrations/franck_condon.py sha256=YjZPz2lRWMlm4EVgUlp-AtOaAhBPr0L1gCAibxgaToM 12918
ase/vibrations/infrared.py sha256=tw_XGWTBKWE4br_bhEzRyn9gBO2qGZqffUSnj5Xnl68 13551
ase/vibrations/placzek.py sha256=Uj-XTLBMXNJrf4pc1ZSazys-DLn78CWyHSITcerJSjo 5554
ase/vibrations/resonant_raman.py sha256=Gsi3a2cUkqr6sfi1ecC9ZL60yeU0VuZoMlIH4ZCGKgE 28590
ase/vibrations/vibrations.py sha256=ZvBNsiROHfocEQVfchMGDIlp9URwY3-l9DgM5aodlU4 20640
ase/visualize/__init__.py sha256=TZ2GHoMvw3O5wRAmNW1yVMO3l0tsRMV8G7Wtemlds1E 3248
ase/visualize/colortable.py sha256=CAeirRAMe08MHIZeY4tyLBUYL-Tfj0A_VWIIKoriWWA 39540
ase/visualize/fieldplotter.py sha256=y5AvNFxhbT_LXvEyTiGokI0nEJv79-67VF1ZZwx1C1U 11032
ase/visualize/mlab.py sha256=I6ovTls-wDFXIlQ66qOKPOvQ11BSZHpMHvgaZwHZKlk 4367
ase/visualize/ngl.py sha256=aF4nGnD12eKYTU0SpLYftWYEJEuTY5qkCygiuOZMS24 4273
ase/visualize/plot.py sha256=kdD_f2Bs4aTP3e2szq364uIPGZpUQqWX5SAhx0Uzj_E 3130
ase/visualize/primiplotter.py sha256=X--xB5eSFtWzo6y0Go_x-2D-BuHs8WhrDIro4OwDURA 35884
ase/visualize/sage.py sha256=kmWH3uyCSgY9vEWgxECr-2mI4njEA7z-jYqTylPLc9U 779
ase/visualize/x3d.py sha256=GLyHhBD4xCiYc6_ARATnxVJdH53e5LQU3yi0PM1x5os 518
ase_koopmans-0.1.4.dist-info/COPYING sha256=gXf5dRMhNSbfLPYYTY_5hsZ1r7UU1OaKQEAQUhuIBkM 18092
ase_koopmans-0.1.4.dist-info/COPYING.LESSER sha256=3GJlINzVOiL3J68-5Cx3DlbJemT-OtsGN5nYqwMv5VE 26530
ase_koopmans-0.1.4.dist-info/LICENSE sha256=IddSAlCFfSSt8Pv4DgHJZti64qLXl_FMwDi68jfP5Zk 608
ase_koopmans-0.1.4.dist-info/METADATA sha256=3dSv9S3WG1ugrbU_CrDBRyc80YdlwF1YdvGP0NWXfv0 3548
ase_koopmans-0.1.4.dist-info/WHEEL sha256=5sUXSg9e4bi7lTLOHcm6QEYwO5TIF1TNbTSVFVjcJcc 92
ase_koopmans-0.1.4.dist-info/entry_points.txt sha256=GHpnOO0hYvZHiMoDHvKhVG1dqghw6Hz4hcSB9xiz1KE 179
ase_koopmans-0.1.4.dist-info/top_level.txt sha256=5g9TnxOI8fLqHg8jHSmebm4dVFAjEA30k95UTEaA-5c 4
ase_koopmans-0.1.4.dist-info/RECORD — —

top_level.txt

ase

entry_points.txt

[console_scripts]
ase = ase.cli.main:main
ase-build = ase.cli.main:old
ase-db = ase.cli.main:old
ase-gui = ase.cli.main:old
ase-info = ase.cli.main:old
ase-run = ase.cli.main:old