pyscf.cornell_shci package¶
Submodules¶
pyscf.cornell_shci.shci module¶
pyscf.cornell_shci.symmetry module¶
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pyscf.cornell_shci.symmetry.convert_lzsym(gpname, orbsym)¶ Convert orbital symmetry irrep_id to Block internal irrep_id
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pyscf.cornell_shci.symmetry.convert_orbsym(gpname, orbsym)¶ Convert orbital symmetry irrep_id to Block internal irrep_id
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pyscf.cornell_shci.symmetry.d2h_subgroup(gpname)¶
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pyscf.cornell_shci.symmetry.irrep_name2id(gpname, symb)¶