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Searched refs:GAMESS_BS_Invalid_ECP (Results 1 – 2 of 2) sorted by relevance

/dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/
H A DInputData.h430 GAMESS_BS_Invalid_ECP=-1, enumerator
H A DInputData.cpp1774 GAMESS_BS_ECPotential NewPot = GAMESS_BS_Invalid_ECP; in SetECPPotential()
1782 if (NewPot == GAMESS_BS_Invalid_ECP) { //test against the old spelling of sbkjc in SetECPPotential()