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Searched refs:_rm_digit (Results 1 – 5 of 5) sorted by relevance

/dports/science/py-pyscf/pyscf-2.0.1/pyscf/data/
H A Delements.py844 def _rm_digit(symb): function
859 return ELEMENTS_PROTON[_rm_digit(a)]
875 rawsymb = _rm_digit(symb_or_chg)
895 rawsymb = _rm_digit(symb_or_chg)
918 rawsymb = _rm_digit(a)
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/symm/
H A Dbasis.py25 from pyscf.data.elements import _symbol, _rm_digit
200 bas0 = basis_tab[_rm_digit(symb)]
H A Dgeom.py506 ksymb = mole._rm_digit(k)
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/gto/
H A Dmole.py52 _rm_digit, charge, _symbol, _std_symbol, _atom_symbol, is_ghost_atom, \
870 stdsymb = _rm_digit(symb)
905 puresymb = _rm_digit(symb)
915 puresymb = _rm_digit(symb)
977 elif _rm_digit(symb) in _ecpdic:
978 ecp0 = _ecpdic[_rm_digit(symb)]
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/gto/
H A Dcell.py38 from pyscf.gto.mole import (_symbol, _rm_digit, _atom_symbol, _std_symbol,