pyscf.cornell_shci package

Submodules

pyscf.cornell_shci.shci module

pyscf.cornell_shci.symmetry module

pyscf.cornell_shci.symmetry.convert_lzsym(gpname, orbsym)[source]

Convert orbital symmetry irrep_id to Block internal irrep_id

pyscf.cornell_shci.symmetry.convert_orbsym(gpname, orbsym)[source]

Convert orbital symmetry irrep_id to Block internal irrep_id

pyscf.cornell_shci.symmetry.d2h_subgroup(gpname)[source]
pyscf.cornell_shci.symmetry.irrep_name2id(gpname, symb)[source]

Module contents