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

/dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/
H A DInputData.h429 enum GAMESS_BS_ECPotential { enum
476 static const char * GAMESSECPToText(GAMESS_BS_ECPotential p);
479 GAMESS_BS_ECPotential SetECPPotential(const char * ECPText);
H A DInputData.cpp1756 const char * BasisGroup::GAMESSECPToText(GAMESS_BS_ECPotential p) { in GAMESSECPToText()
1773 GAMESS_BS_ECPotential BasisGroup::SetECPPotential(const char *ECPText) { in SetECPPotential()
1774 GAMESS_BS_ECPotential NewPot = GAMESS_BS_Invalid_ECP; in SetECPPotential()
1777 if (!strcasecmp(ECPText, GAMESSECPToText((GAMESS_BS_ECPotential)i))) { in SetECPPotential()
1778 NewPot = (GAMESS_BS_ECPotential) i; in SetECPPotential()
1801 return GAMESSECPToText((GAMESS_BS_ECPotential) GetECPPotential()); in GetECPPotentialText()