qdk/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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=doy7yA3naKJFH73REqdKnLiqg09bYP8XxKRIljqjJck,7003
qdk/chemistry/widgets/jsmol_widget.py,sha256=aUtGsxr70bf1bA5bDPE1d256LRX0Ta_dgfFszbQ11SQ,1056
qdk-0.24.208024.dist-info/METADATA,sha256=clicDb6gj7UOs9iCnjj7bkyTKFNDf9KmbRyb4CWHH3Y,3387
qdk-0.24.208024.dist-info/WHEEL,sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA,92
qdk-0.24.208024.dist-info/top_level.txt,sha256=17fYnYb7lRFyJubZGSnz9wZFTTJCoQ_uo1asu9ZKOvE,4
qdk-0.24.208024.dist-info/RECORD,,
