Path |
Digest |
Size |
pymolresponse/__init__.py |
sha256=20MdmOt8SEDluy_cc7QWHxjuk-GI384-ee6JHL2VqsE
|
115 |
pymolresponse/_version.py |
sha256=Zn1KFblwuFHiDRdRAiRnDBRkbPttWh44jKa5zG2ov0E
|
22 |
pymolresponse/ao2mo.py |
sha256=aBxrTYU9Uz3qJIDO4_oHDi1G4MLHsF3RRXRxtPtrz7U
|
2896 |
pymolresponse/constants.py |
sha256=ecO1KscwOPfawgEH3_76oEyb7PirNi1p5aXsoJhYr-c
|
1266 |
pymolresponse/core.py |
sha256=SaVDVB0anJrX2yLze9dIgP8lubJFoYxZNKln26B7kQk
|
1578 |
pymolresponse/cphf.py |
sha256=nl2PkreiNUjoTOCQc5SBnivGSGgWy3Op-gES3WXuEMw
|
10979 |
pymolresponse/explicit_equations_full.py |
sha256=AC792TN524ieVD1F0xzKz6uGv4X32gi81ZAuiDRhR34
|
6551 |
pymolresponse/explicit_equations_partial.py |
sha256=lIJbXc03GEM0hDXdz7THoXQNOYlTDiB3Bg0DCWcXBCY
|
5977 |
pymolresponse/helpers.py |
sha256=g_xSVFTRtgm5d0q2U6tXXualgDaXq698qW4Kf_ZRFLM
|
3920 |
pymolresponse/integrals.py |
sha256=rKzBS0EnCwkRYmfxj_CuI5JzTElWqxmobaivJymw4Tw
|
8470 |
pymolresponse/molecular_property.py |
sha256=YlMO5scqTpDbb13aToN5cxN8yWGk8ayMd743RvjQ21k
|
2996 |
pymolresponse/operators.py |
sha256=l3N0hb3uGHJjfCQz4Lt_riz4a2xiTMbvQJuHR82HM7E
|
5722 |
pymolresponse/py.typed |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pymolresponse/solvers.py |
sha256=9lRZVe51LTYmz-2gfs_sO9G05Iz4zs-UxMIF3kZNcVU
|
41886 |
pymolresponse/td.py |
sha256=V9hYk-mfdEfPwYvjD5HiKwHyhYjV8nFms1r1j6WUYwM
|
10474 |
pymolresponse/utils.py |
sha256=QmRPkJcJKU3-U38SU6SK--25XLx4_t93SRQioZXubFE
|
12233 |
pymolresponse/versioningit_override.py |
sha256=oN03uNKYVFxR4vQH80bEjgKOlUbBslldHjyoZzaafaI
|
1233 |
pymolresponse/data/__init__.py |
sha256=L0u0HJouu5uG6VlTOq9_cbGf905cvw_CcowhL_e_52Y
|
155 |
pymolresponse/interfaces/dalton/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pymolresponse/interfaces/dalton/utils.py |
sha256=8pe_sPuGhOV217WS-fJYM1OmEJb6VK5MCTVYWwNsk5o
|
3056 |
pymolresponse/interfaces/psi4/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pymolresponse/interfaces/psi4/integrals.py |
sha256=7ki5Sjxi9Gq3yKO2yKg1h-7boehxyWK7ceTErBrSmuU
|
4431 |
pymolresponse/interfaces/psi4/molecules.py |
sha256=rVwV_aRCbKhTtszAlC1zk4szOwMICZhIXVO6xbWyZVM
|
4358 |
pymolresponse/interfaces/psi4/utils.py |
sha256=BimyA6C_RaOD4dL0E2o5FjyChgWoIqo45OXqMRVXdvg
|
1174 |
pymolresponse/interfaces/pyscf/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pymolresponse/interfaces/pyscf/ao2mo.py |
sha256=uPgb38Yndl_68wKXPa3lVpMa-x42wmzMxsX-JTc-pV8
|
4588 |
pymolresponse/interfaces/pyscf/helpers.py |
sha256=mnRodMILfmtNoue-RU4kifw4tKQJkNp1e6hACA2kPV8
|
5848 |
pymolresponse/interfaces/pyscf/integrals.py |
sha256=cHWFCo5v5M3ZwlDiKIUZ6sXDmrp_VBrEBS2ApEdYFoY
|
1568 |
pymolresponse/interfaces/pyscf/molecules.py |
sha256=GNcJxIlAQeqJWOQgTjvxGtImlRTG5IQjEEI22mYADpk
|
3864 |
pymolresponse/interfaces/pyscf/utils.py |
sha256=RB8h8x7FPseXsa-o22MkW0nCRelEyzUW-HV4w8eHrfM
|
364 |
pymolresponse/properties/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pymolresponse/properties/ecd.py |
sha256=AVjt4eukVkIYPEuVwxlZsTF09ZJHoaCSucZdymaP2SM
|
14250 |
pymolresponse/properties/electric.py |
sha256=GXSQQ0tK7m-qFri1VJJqV-72ZB3pAkWdoFXh3SYvwS4
|
1876 |
pymolresponse/properties/magnetic.py |
sha256=3k8Mu5y02jFKapvpTQqE_WPJXXBhdXHIgNl6Gm_aycU
|
7760 |
pymolresponse/properties/optrot.py |
sha256=r0Ko5OqtqgI6uHPy3WW6l_9yaeiK1cLTCGLOG5ztuMU
|
3311 |
pymolresponse/tests/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pymolresponse/tests/test_ao2mo.py |
sha256=t-1o7SuAKPaEMukgZ2A2_rdACLEqrMgifyB7ax__RDc
|
3692 |
pymolresponse/tests/test_calculators.py |
sha256=97evK3MzKKJ6JOK4GXGTR_GEs8c0cHDlspQqVy0czHI
|
14873 |
pymolresponse/tests/test_final_result.py |
sha256=B60UVc-rA_kJLwSU4e-j_oywiHOw59Zc6BjRWZPlqQg
|
14502 |
pymolresponse/tests/test_hydrogen.py |
sha256=F1dXlaIdq-AiGNFLHShmklwpTZFxhLpOVmFdUWm4Oac
|
755 |
pymolresponse/tests/test_molecular_property.py |
sha256=n1R1Q8ZCUVLQTOb3g6KU4nabWILrPDQE2w0LyQitnoU
|
2371 |
pymolresponse/tests/test_operators.py |
sha256=-402B9qLVGWiMm3F5qObyjNWjrzRuimTquE_24al2fI
|
2243 |
pymolresponse/tests/test_rhf.py |
sha256=7KgTwe7y31HxXAHj2SSOKQY93NHKQY6_NSrtf14EIVo
|
4373 |
pymolresponse/tests/test_runners.py |
sha256=G7ut5prGXUPpRojkP4ZjH3KP19cFxi3bbQa7pIyfXkQ
|
3644 |
pymolresponse/tests/test_solvers.py |
sha256=4WbwVXjICYK3adMbq2TvNAtcfqCjrQoUw4dMNE__rYM
|
3978 |
pymolresponse/tests/test_td.py |
sha256=vK1YkxVpjo8hyT34f53rDDzzRpv4VWAknrUjIp_8rCU
|
4758 |
pymolresponse/tests/test_uhf.py |
sha256=MlwLXcpyHdIS06LsEY-Z1zCRR2XgFT4LPfl1wKKfRhE
|
11217 |
pymolresponse/tests/test_uhf_partial_mo_trafo.py |
sha256=rflLDiGuDceug_7DY-EwwM9kIcTZRO8g7Vto3t4sw8Q
|
9118 |
pymolresponse/tests/test_uncoupled.py |
sha256=-FC4MNT3Iqmsn32gWBFmxN5o5z3kERKBArbgkXwGjgY
|
8869 |
pymolresponse/tests/test_utils.py |
sha256=qv6RYd1oKF9aCmFyPI-vBJY2RjgK2U7_qIrlVfgdtdE
|
1495 |
pymolresponse/tests/properties/test_ecd.py |
sha256=z5NkAgJIQoBWgZcvqPyciJTHHNnuJPk_0Wxyhb8Mss4
|
10603 |
pymolresponse/tests/properties/test_geometric_hessian.py |
sha256=pEqYwrX2-BOxxtpTwbBAZLrmNMCaD8VsHCLNVTsu2F4
|
38710 |
pymolresponse/tests/properties/test_magnetic.py |
sha256=OBxpqL595q1EyGO_S2lHCSMOchkWVxwwQKr_7udjOKk
|
6196 |
pymolresponse/tests/properties/test_optrot.py |
sha256=HPRl04obambRzDb8dzrzDEbMwqRPB8BsgOatns5rHpM
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11728 |
pymolresponse/tests/properties/test_quadratic.py |
sha256=R7fbuw-yqz8gDEH8w2p-sxlkYM97pvVRj-BGuZLab4E
|
44501 |
pymolresponse/tests/properties/test_quadratic_psi4numpy.py |
sha256=4prktxW5IxXO7qpgPadaxWWSNoWuY2Oc-CIO_DgkGRQ
|
36025 |
pymolresponse/tests/psi4/test_integrals_psi4.py |
sha256=8NRa9KDZeen8u45qpc-FqzVDQtLDbuDuUf3etw9jDs0
|
1604 |
pymolresponse/tests/pyscf/test_integrals_pyscf.py |
sha256=PEpGMQyJod8WnzzX9FZ6vuxYt9y01RCZYbv4U84SE8I
|
681 |
pymolresponse-0.2.0.dist-info/LICENSE |
sha256=Z7Ofecpu5iS1fDMMXDbMqqJsECiC2_L3SSBgSc336KY
|
1513 |
pymolresponse-0.2.0.dist-info/METADATA |
sha256=FpHOsgVyv8HO9UxyFdjHVdkogFN5QLLU9Quym4nSygQ
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6361 |
pymolresponse-0.2.0.dist-info/WHEEL |
sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM
|
92 |
pymolresponse-0.2.0.dist-info/top_level.txt |
sha256=Lby58rirNXN4_BOAc660jLyB0U2mXGZy5claEiranHw
|
14 |
pymolresponse-0.2.0.dist-info/RECORD |
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