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0.57 qcarchivetesting-0.57-py3-none-any.whl

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Project: qcarchivetesting
Version: 0.57
Filename: qcarchivetesting-0.57-py3-none-any.whl
Download: [link]
Size: 5238073
MD5: 57ac86a058f576f98cd070db82586b03
SHA256: 0c812df9989619012f7da4a26c4ef372ffcdc56e25557e3a183e97f94c5b4363
Uploaded: 2024-12-12 15:01:43 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: qcarchivetesting
Version: 0.57
Summary: A distributed compute and database platform for quantum chemistry.
Author-Email: Benjamin Pritchard <qcarchive[at]molssi.org>
Project-Url: Homepage, https://github.com/MolSSI/QCFractal
Project-Url: Bug Tracker, https://github.com/MolSSI/QCFractal/issues
Classifier: Programming Language :: Python :: 3
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS
Requires-Python: >=3.8
Requires-Dist: qcfractal
Requires-Dist: qcengine (<0.70a0)
Requires-Dist: pytest
Description-Content-Type: text/markdown
[No description]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.6.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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qcarchivetesting/procedure_data/opt_psi4_methane_sometraj.json.xz sha256=13OnN6M3sX3sVyAbyHdxbVmpPXBGP9sHo3nINoRDpSg 12508
qcarchivetesting/procedure_data/rxn_H2O_psi4_b3lyp_sp.json.xz sha256=HvA5TIugsBC52eujpt0WdKBCGHENb_vNb6fqsPPj508 15628
qcarchivetesting/procedure_data/rxn_H2O_psi4_mp2_opt.json.xz sha256=rJJIE01-kvyOjpp1MSVglkR3Bjttmaapm3Wz-tQwgtU 95380
qcarchivetesting/procedure_data/rxn_H2O_psi4_mp2_optsp.json.xz sha256=55er29dgHHz7amPQSxV_OTxcxnu3OHNP1Q5Rn8xUz6U 110060
qcarchivetesting/procedure_data/rxn_H2_psi4_b3lyp_sp.json.xz sha256=kk3U1-0AF7TPggk6jMMDDB6ck_o4mAISUbn6cYokwyU 10220
qcarchivetesting/procedure_data/sp_psi4_benzene_energy_1.json.xz sha256=aZdkEjwhU1OZmxcmbRt4kZNnT354_To3sXIwejJ881I 6800
qcarchivetesting/procedure_data/sp_psi4_benzene_energy_2.json.xz sha256=-r6ef1rd_A5lKW7NHHBT8igCAmCOt31nSMIevoN9N84 6816
qcarchivetesting/procedure_data/sp_psi4_benzene_energy_3.json.xz sha256=1rnL-0Iw8Hi7bVqAs0h9iFnXAX8M3j4svoKleerg9RA 6824
qcarchivetesting/procedure_data/sp_psi4_fluoroethane_wfn.json.xz sha256=4xVW-tYJsYfVSn49m8H-Sa-Ob0nhuSM1S8xHNBQ-YEc 9612
qcarchivetesting/procedure_data/sp_psi4_h2_b3lyp_nativefiles.json.xz sha256=XyRpwQKlS5jBK2ZGuuq5k6EfpJ0-MdA6EHKGCEqBtTo 6820
qcarchivetesting/procedure_data/sp_psi4_peroxide_energy_wfn.json.xz sha256=aXLYdgSQBBZuHxnsk5caLOfADCnjh4UdII-aFioTv34 8632
qcarchivetesting/procedure_data/sp_psi4_water_energy.json.xz sha256=vdpmErmOLzy3OzGIwvzn3Xr4e7lvm22091eRiHRk9tI 5936
qcarchivetesting/procedure_data/sp_psi4_water_gradient.json.xz sha256=rFld7ij0_Y3-Xpboyow6kvUqBGtI4wRgYsaOZhgq2y8 6380
qcarchivetesting/procedure_data/sp_psi4_water_hessian.json.xz sha256=I0WrK0cC-wv9yVkr1a16ZdDEggANvKuPnSI-jIvOoO4 10964
qcarchivetesting/procedure_data/sp_rdkit_benzene_energy.json.xz sha256=qPA8sikuT6DA6ZbiDIg1x7OYJlor7xd_2YRv08WeJ3c 1136
qcarchivetesting/procedure_data/sp_rdkit_water_energy.json.xz sha256=J3o5V-2e_BAl9u43bndfwZEkndpF-XDND_Ubfan7J_w 948
qcarchivetesting/procedure_data/td_C9H11NO2_mopac_pm6.json.xz sha256=Fbeze64HGFaXQelLHtye26gtCq6cWtoAoJ7m-dzhRCI 2388372
qcarchivetesting/procedure_data/td_H2O2_mopac_pm6.json.xz sha256=Un7zGbOXZb0nBveRP6URx9NxieiWklchnll5-ZQsWIk 11064
qcarchivetesting/procedure_data/td_H2O2_psi4_pbe.json.xz sha256=1uOA_DuLMTKejiymPEBN-m1s8IuqouIheTnz7So370A 10720
qcarchivetesting/procedure_data/td_H2O2_psi4_pbe0.json.xz sha256=VNJ9UVnCQOmjQrtm4pRV6gQUuTWO3CRiZqZrvDc5Hlc 10740
qcarchivetesting/wavefunction_data/psi4_fluoroethane.json sha256=ohYmrA0N3MFTftK-LyqNp3mVqK4qQGMcpmrUjI3Mrng 12508
qcarchivetesting/wavefunction_data/psi4_peroxide.json sha256=oF6e15aXIB12fVz0zsY4mrmXzReF7yjZwSRChL6DeKU 13894
qcarchivetesting-0.57.dist-info/METADATA sha256=DYrHU7cn9s3jgb0MAfHMvTIRF-wi6hlsP_Ho7pmbCu4 686
qcarchivetesting-0.57.dist-info/WHEEL sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U 91
qcarchivetesting-0.57.dist-info/entry_points.txt sha256=OMA6AKZ1ObhZl2fi1eVJR_c_fZ8OWkBYGoT6W6wkN5k 118
qcarchivetesting-0.57.dist-info/top_level.txt sha256=ZsGy77S9f2I2XwwkVrYIKlfgimb_i-FsEvlaeUyv3BA 17
qcarchivetesting-0.57.dist-info/RECORD — —

top_level.txt

qcarchivetesting

entry_points.txt

[pytest11]
qcarchive_conftest = qcarchivetesting.pytest_config
qcarchive_fixtures = qcarchivetesting.testing_fixtures