Wheelodex » Projects » cclib

cclib

View on PyPI — Reverse Dependencies (26)

1.8.1 cclib-1.8.1-py3-none-any.whl

Wheel Details

Project: cclib
Version: 1.8.1
Filename: cclib-1.8.1-py3-none-any.whl
Download: [link]
Size: 353649
MD5: b8429fc9e44f71d1e6bfd4f098ad6cde
SHA256: ac86cc5f013b7173c5bc62bfae0637ac83ad34de1ed57a1c7c7fb7b3e512c92f
Uploaded: 2024-03-18 16:36:26 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: cclib
Version: 1.8.1
Summary: parsers and algorithms for computational chemistry
Author-Email: cclib development team <cclib[at]googlegroups.com>
Maintainer-Email: cclib development team <cclib[at]googlegroups.com>
Project-Url: Bug Tracker, https://github.com/cclib/cclib/issues
Project-Url: Changelog, https://github.com/cclib/cclib/blob/master/doc/sphinx/changelog.rst
Project-Url: Documentation, http://cclib.github.io/
Project-Url: Homepage, https://github.com/cclib/cclib
License: BSD 3-Clause License Copyright (c) 2024, the cclib development team All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.7
Requires-Dist: numpy
Requires-Dist: packaging (>=19.0)
Requires-Dist: periodictable
Requires-Dist: scipy (>=1.2.0)
Requires-Dist: cclib[bridges]; extra == "all"
Requires-Dist: ase (>=3.21); extra == "bridges"
Requires-Dist: biopython; extra == "bridges"
Requires-Dist: openbabel; extra == "bridges"
Requires-Dist: pandas; extra == "bridges"
Requires-Dist: pyscf; extra == "bridges"
Requires-Dist: qc-iodata (>=1.0.0a2); extra == "bridges"
Requires-Dist: cclib[bridges,docs,test]; extra == "dev"
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: pytest; extra == "test"
Requires-Dist: coverage; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Provides-Extra: all
Provides-Extra: bridges
Provides-Extra: dev
Provides-Extra: docs
Provides-Extra: test
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 1066 characters]

WHEEL

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

RECORD

Path Digest Size
cclib/__init__.py sha256=tna1WNcaR8R4OB5LlvEZGvI9l3WekB_f-MXxTha3hP8 1471
cclib/_version.py sha256=6cud5pVpwnMsz6fxZVA6qWcQVSpLQXd0ddN6ip-1M_8 22
cclib/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
cclib/bridge/__init__.py sha256=vklLr0F3O2coHABeBdxac7pGCuawA-HrTsZjxBqbVhs 891
cclib/bridge/cclib2ase.py sha256=T04Vrzfvs6z6pJ-5_A2Ad6MDzao_ZtTHzxAJfYnybxs 8727
cclib/bridge/cclib2biopython.py sha256=Llk1149yKLPfJlMmGcbPKrWPj6DDOiWZup8o_uyeABQ 1036
cclib/bridge/cclib2horton.py sha256=RnYHwM_F_lea-YfeRbTs8q_msPsVKs9CObHk0yTYM10 5076
cclib/bridge/cclib2openbabel.py sha256=hmL_XgYPLRJyL1VDwzUNWv7toMdKvxBjSGqrh3sKZho 3410
cclib/bridge/cclib2psi4.py sha256=-6En-kacLHI9E96J6kK_pGpnoKPqf1vOmYPohgwfTJ4 946
cclib/bridge/cclib2pyquante.py sha256=MMVCfaKCm7WnsuJKCywmOQYg82_1_jyC9qqgsMv9SVk 1419
cclib/bridge/cclib2pyscf.py sha256=1wxgPX3ky5fntGi7zsQr4uOn1JhJsN1ZBGsWA5M9aI8 4115
cclib/io/__init__.py sha256=_VBbTJe3x1oGm4_vF4dkJhwqid_xkyuMHXWi1z2twhI 815
cclib/io/ccio.py sha256=2rIiGLO26qNqyDGRrUEtZPhibx_8xLGhblENXyUsBA4 15042
cclib/io/cjsonreader.py sha256=tQy8goKHx_j0CemXj1cvSje30Olg88NWng0rLtmR8Ak 1918
cclib/io/cjsonwriter.py sha256=rgwLofWIamsvQxzKsUlOPWVL984MBocs53gy_vQY8rU 9878
cclib/io/cmlwriter.py sha256=2Jzu8euLjKxHGobexahH6r33QUS7_zsiFUEjjSV3vOU 3421
cclib/io/filereader.py sha256=X2DfVN6hbO0Kypp6-Jm0sJJu3yuGXbeuTwRbAKNQPpE 1238
cclib/io/filewriter.py sha256=EZO_R61NhgxgZmqskjDgoT0disuzr9vUTGmvcBCg2do 5924
cclib/io/moldenwriter.py sha256=M7ROVpeq4dmhAfO12DXABKI2GxmW4fnDnVVtNUyXC9k 13326
cclib/io/wfxwriter.py sha256=RNR8tYWHTM75oxO3alKcqnBbljbwcuTIxQukbXkEtZE 19059
cclib/io/xyzreader.py sha256=BJ_Wpubds8v73dLU6aq-WkhAHQXOz9DVKsmdb1xi7kU 2435
cclib/io/xyzwriter.py sha256=ERRSibVoZ4-gE9CHrZ-ogbEJrbBvFCSYXP7LeOouvaI 4214
cclib/method/__init__.py sha256=0AtaDK06UCv8-c3YSXQp2_yaNmQGvZjuR1qd45T9bKo 995
cclib/method/bader.py sha256=MhQt7wkcvHAVJNXphhRD3AksuNHnGEgYnoNa6BdlVsE 9292
cclib/method/bickelhaupt.py sha256=8HWzz32cCDaPfqgzXt9IowSQQ9EzjWkksBV0vWMS_0c 5293
cclib/method/calculationmethod.py sha256=mVgnHiZn424Usef9VUJpbOB27r9ac8Hyw0GUGuvKfms 2338
cclib/method/cda.py sha256=dZZK5R-vWqN4_wjIb986Hh1wBTZlA_S2Pzl00ikkzWI 4818
cclib/method/cm5.py sha256=NAiUO8OO6TUUIc0KIVNgvnDk35mtKxxw30ZtZnZLgl4 9997
cclib/method/cspa.py sha256=eh_Q7XTon_UGJR-kj5Bjbylb0efqyWpaRTM2X9wKamo 3410
cclib/method/ddec.py sha256=bA_uv8g3L56Q4KtbOPXfPI0WE05f4JIot1EK27vrfPI 38725
cclib/method/density.py sha256=ypG6qd36Pnc2YZSgEWe7pMfi2csOojAS2IrWqUseKbc 2716
cclib/method/electrons.py sha256=J6jyQocAF8PC5Q0wvMYD2pNx87AW2V7EnwzyKhAlhs8 1410
cclib/method/fragments.py sha256=82F7mRaJULRd5HknueRteTN0YUyGR317U6_eclwfZrw 5321
cclib/method/hirshfeld.py sha256=b8knwyxLjwDVFBMFeqBOpZL30vhgF8bklw-101fZay4 4614
cclib/method/lpa.py sha256=CM0bgbkgELJmYvGCs5sfxpYKAik3kFsUSBetrNrCL7o 4208
cclib/method/mbo.py sha256=Zq_WgYVfIyY3aN1oNObsNOFVMq1kp6XFdm7_9DOF-Po 3923
cclib/method/moments.py sha256=nSKmvttcDbwwejwrrUTJESLnFpQrMJpVJHM_lGyR5u4 5540
cclib/method/mpa.py sha256=Or5Y_pEjU2wTjqnNGgge6S4IaPGkaQS3cJYjcJMrlXw 3798
cclib/method/nuclear.py sha256=tIZvBKD2hbJhP83y8jkmffXsISaC2YdNi-pHcHZwlnk 7302
cclib/method/opa.py sha256=iV2ihG4qUQPUmRv5dtkNZLgGaLKyyduet7571mWPyFo 4041
cclib/method/orbitals.py sha256=jmnboErxcpfDgOVbNlO3bfNcSVSwcrQjfiykIZDlgnc 1679
cclib/method/population.py sha256=Bm6YWN2q46ku0BVjdNgj_fu-yHNZk8el8Hr_2cwoD6E 3453
cclib/method/stockholder.py sha256=QG3n9NiOJCo5InFz2HhP8iP3ls-5NJzg2I9KgUGOUv8 9624
cclib/method/volume.py sha256=MWSJpA7cdWh-viWw8ZYOpLnbgRYaosEgK5pstJmKYpE 15869
cclib/parser/__init__.py sha256=Cr7cirB2XvU4DMIwzrZrHqQgtoTrcEAWfD8Lgme5WXA 1420
cclib/parser/adfparser.py sha256=-zQkgSpMi4Gfj4uqqN63D7A5y7AQY3GzUGFplvsMai0 54145
cclib/parser/daltonparser.py sha256=4-4NhHsZRAT4lR7UUVAjg0vy6YGHdezKrTeFP8W8KFc 61963
cclib/parser/data.py sha256=qR3FfaTDx6H-9hpcvN_RaLrFQbuZZoY1jHohWayE-Ao 23134
cclib/parser/fchkparser.py sha256=6LPQAh6nQFobr3KDHVZzL0kf3fdqoolfib6ZnJiuRYY 15487
cclib/parser/gamessdatparser.py sha256=pZorjVE1IE1NB20dtZYbfHdQdy2HbznqgHKzo1D029w 9952
cclib/parser/gamessparser.py sha256=oMjwHOvcpWM8Z4BxnLtrVNXYFKOkptG_OazaI3aeJW0 77208
cclib/parser/gamessukparser.py sha256=uWBU07rBgwyb6SJx6Mhd-NrNtauSiarJxvBkL8u_VSw 31670
cclib/parser/gaussianparser.py sha256=4AsZ8xarwf1-a4DaRvjHt1k8q08deZ3oDkWSKxVNppk 121489
cclib/parser/jaguarparser.py sha256=Eu7loexUngy4_9uomlPTcUOm675qfgAzzi56eeRy82Y 32476
cclib/parser/logfileparser.py sha256=oJb14TupnZdMazNq58wUWaIm4zRyLFQoL1mwQ4Fx0mw 16842
cclib/parser/logfilewrapper.py sha256=t4oiR2h7sREeJ404i3VGClwPKEr7nn6mJX5_7o3NUFI 10097
cclib/parser/molcasparser.py sha256=V7H5YI8JA-jiD_hMiVo-xCqgpPcBw-7uLfoV3isL_40 48354
cclib/parser/molproparser.py sha256=6L-rp7RRbxBcC_WbFKp3IvxLaP17-AhDNvMFN1u8fg0 43886
cclib/parser/mopacparser.py sha256=0CQdGzYSnydJ3WfGkWX8rTje9fr1bFYxh0df44EqujM 9751
cclib/parser/nboparser.py sha256=omeM9QNx_omByJXAyUvdEZGjpT9KmIV6_8jHi2xsq7A 12859
cclib/parser/nwchemparser.py sha256=e0M-PiSftpo2AsExCSD0Oy7bS58vLB80Ir0d2itAGSQ 67600
cclib/parser/orcaparser.py sha256=RrF9hr88KtO84ixAaCNqvItGG5p7M5bQ-KScJpVREJg 131390
cclib/parser/psi3parser.py sha256=QDEbPV66Y6Oi53cyeicoNxwWHbkaaV_XQRdjPg-t8nI 13838
cclib/parser/psi4parser.py sha256=gDOuWJu9oNUyS0DmWtbMS0xzLFD-WlkcVh7o6ZM0vHA 57028
cclib/parser/qchemparser.py sha256=5aXhNf0WcEGiBjN1lkn1MaiB0y0UzRYYs8HoFI2fKEk 87750
cclib/parser/turbomoleparser.py sha256=wlZStO5yowSZGlssKRgOk1A2etnfSxg7plJSw9C1nWA 88348
cclib/parser/utils.py sha256=yz6XjFQSC8ys-_r5dXV2tfs-Z-xyWetLdv-qRwfvPBM 9743
cclib/parser/xtbparser.py sha256=5HMKwBGG6ZRrkLsr6oWjXwFRBq9OObn133fBRtGqFxk 33241
cclib/progress/__init__.py sha256=oANa9sNd7LNedUqDjJay-VHa9lclNAeWY12AebeNOl4 262
cclib/progress/textprogress.py sha256=Q9VGwaWuELfY5uG0WYr7nqln015Xq60OkoXCjsedzJM 1424
cclib/scripts/__init__.py sha256=7AIXuey9TiGVyXLO7tLXdiEsESk1n6R8mKiXKQJaIsg 215
cclib/scripts/ccframe.py sha256=9lXEYpSaq183jRWBWqX8rU3dkRO1gH0Q4s2zqpQwUZA 2898
cclib/scripts/ccget.py sha256=7CEqLWcDQUmxUbJfb4sVUb3epzYXkG06ZFwXA6jjhhM 7790
cclib/scripts/ccwrite.py sha256=2_x_3F_nzJPKuCidVED_bp_WxGMe8lOYvYcjreNsZSg 3705
cclib/scripts/cda.py sha256=s-KYm269BDyo8CC3a-AZh6NFRN2FzdPHGUcLBI5FGWU 1966
cclib-1.8.1.dist-info/LICENSE sha256=qe1S-MVM_vxMmgJoHgdOtwgvspE32wt5d_QMpuv2Z6Q 1526
cclib-1.8.1.dist-info/METADATA sha256=R3hS-3RvfoYRv5BftDU7kOMbkjpPwxUFKWxZLRgj7wo 4732
cclib-1.8.1.dist-info/WHEEL sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ 92
cclib-1.8.1.dist-info/entry_points.txt sha256=HEB2-y81eXOanJvDY41QrRdAnp5DGjeFRjle2YuRra8 155
cclib-1.8.1.dist-info/top_level.txt sha256=L6IRWbnGwgmyVWVjKRTt0XOQ9YnVNjEZ7bv_msQYBvE 6
cclib-1.8.1.dist-info/RECORD — —

top_level.txt

cclib

entry_points.txt

[console_scripts]
ccframe = cclib.scripts.ccframe:main
ccget = cclib.scripts.ccget:ccget
ccwrite = cclib.scripts.ccwrite:main
cda = cclib.scripts.cda:main