Searched refs:_rm_digit (Results 1 – 5 of 5) sorted by relevance
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/data/ |
H A D | elements.py | 844 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)
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/symm/ |
H A D | basis.py | 25 from pyscf.data.elements import _symbol, _rm_digit 200 bas0 = basis_tab[_rm_digit(symb)]
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H A D | geom.py | 506 ksymb = mole._rm_digit(k)
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/gto/ |
H A D | mole.py | 52 _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)]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/gto/ |
H A D | cell.py | 38 from pyscf.gto.mole import (_symbol, _rm_digit, _atom_symbol, _std_symbol,
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