Path |
Digest |
Size |
qdk/__init__.py |
sha256=_0rQv6NLJPHNVC9S91qNGdn8ePDwUOCo-oAIabL1wtA
|
312 |
qdk/chemistry/__init__.py |
sha256=qou6UqFLB8WGakwtWOtgpyTxgRsF5pQGDDfZ778sSC4
|
120 |
qdk/chemistry/broombridge.py |
sha256=CEWMS-yrD3OtbRNgLnU9IXv5lH1dJQb9HREW_2Gvdq8
|
1996 |
qdk/chemistry/molecule.py |
sha256=Bo4dBiYnxy-OnNqF32uhwTuvNR8HHc4RU8oHHFOg0cc
|
7838 |
qdk/chemistry/_xyz2mol/__init__.py |
sha256=fFs3za6t4RP-5RoI-LfG-5fZzOAqnZW9K-l840cu-uQ
|
107 |
qdk/chemistry/_xyz2mol/ac.py |
sha256=TXiTIdcigY4Q5rfAXQccj0a5PM8ZDtRYYV95JzOVXj4
|
8105 |
qdk/chemistry/_xyz2mol/bo.py |
sha256=4RnMvZHDCNBn82aG1kElp6X7uTiKNsN4ZzaeVH0xL0M
|
4878 |
qdk/chemistry/_xyz2mol/util.py |
sha256=gHP3Mt_vLvqCCMmjJZoIz38JfB8knvZTtSrfp7Xs8Ow
|
8867 |
qdk/chemistry/_xyz2mol/xyz2mol.py |
sha256=VaWWwjtk_Dlhn3jUOabM0760IvtB6RhY5yIJSWljgkM
|
1970 |
qdk/chemistry/_xyz2mol/tests/test_xyz2mol.py |
sha256=ewdVtKIrHz_Mv9NaGXoWPYxlykZqAfBzUMsXNNdoh84
|
5100 |
qdk/chemistry/geometry/__init__.py |
sha256=Yu_UfpTW6_0tDKTvar2lREWQTSyDOcTrmKAEFJ2Vstc
|
325 |
qdk/chemistry/geometry/geometry.py |
sha256=kwHeL0b8DRHL66mh9T3K0k_LA_1IcvgJOwbjXh0Z3c8
|
5818 |
qdk/chemistry/geometry/rdkit_convert.py |
sha256=BmzvIBI1M-PFKoy16VIdyYpCQ5y2K932PXZiU1CxyXY
|
3631 |
qdk/chemistry/geometry/xyz.py |
sha256=Rebmx0z5bFAZaBSh0jHCyU1yvrrlZhF-A5AOy4yQoeo
|
1808 |
qdk/chemistry/solvers/nwchem.py |
sha256=gFlDl0XzOPBF1cQscMYokjAXPEGwY5v45owWjbc0VJs
|
7401 |
qdk/chemistry/solvers/openmolcas.py |
sha256=_YaF1Y1EXq0HiwZf-dWhMgY7au6nQAfenXbl7K9dYoo
|
4315 |
qdk/chemistry/solvers/psi4.py |
sha256=-JBjaJ4uBaDdDyS4heZFJudW_AzUY8M2g0TNOj-U5Qs
|
3442 |
qdk/chemistry/solvers/util.py |
sha256=13qzJCk5Z_LWHpiv0qdOazWstsuO-lLsWS68mwZOqPQ
|
1791 |
qdk/chemistry/tests/conftest.py |
sha256=LYG0uYxdEHnyX6AZE5oCxhriXxOYnGPaVgtFhoat9Ps
|
1449 |
qdk/chemistry/tests/test_geometry.py |
sha256=G_ZIfLA502I007SNVGeWWgbIyGu1VNjZtoE2TEqxBAM
|
887 |
qdk/chemistry/tests/test_molecule.py |
sha256=rSo9sdhoGyF4koX8S_CJme-6aX-fn9u8bYEfMuugzPo
|
1310 |
qdk/chemistry/tests/test_nwchem.py |
sha256=9KrDr_lVevxOtv6TjOtm6Ih8GsEVw_jDRmk4JPo8ogo
|
1730 |
qdk/chemistry/tests/test_openmolcas.py |
sha256=EMyqMWt46xeflTv0RycJYJmkaw0B6shfTOMtVoMhmeU
|
900 |
qdk/chemistry/tests/test_psi4.py |
sha256=We0xJSXdRPNdUCuuHu7Bu6JaaLkHi15S5JgPQRXRvBw
|
852 |
qdk/chemistry/widgets/__init__.py |
sha256=Bg-GqBhxwepR_mGSYkWRGP0DZQp6-eFEHji_KDjzOzQ
|
151 |
qdk/chemistry/widgets/jsme_widget.py |
sha256=6T8mHOipG9ROtTyHWLm4ufcekr4-dXKLzMFT9PFqwhQ
|
6796 |
qdk/chemistry/widgets/jsmol_widget.py |
sha256=aUtGsxr70bf1bA5bDPE1d256LRX0Ta_dgfFszbQ11SQ
|
1056 |
qdk-0.29.0.dist-info/METADATA |
sha256=JjAeGVWDQwQ10EhWTAvcKmrmsu2h0eZOI98LRWAwpZ8
|
2036 |
qdk-0.29.0.dist-info/WHEEL |
sha256=Xo9-1PvkuimrydujYJAjF7pCkriuXBpUPEjma1nZyJ0
|
92 |
qdk-0.29.0.dist-info/top_level.txt |
sha256=17fYnYb7lRFyJubZGSnz9wZFTTJCoQ_uo1asu9ZKOvE
|
4 |
qdk-0.29.0.dist-info/RECORD |
— |
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