Searched refs:NumOpenOrbs (Results 1 – 1 of 1) sorted by relevance
2468 NumCoreOrbs, NumOpenOrbs, NumGVBPairs, in OpenGAMESSlog() local2856 sscanf(LineText, " NPAIR =%ld NSETO =%ld", &NumGVBPairs, &NumOpenOrbs); in OpenGAMESSlog()2858 if (NumOpenOrbs>0) { in OpenGAMESSlog()2865 for (int ishell=0; ishell<NumOpenOrbs; ishell++) { in OpenGAMESSlog()2876 MainData->InputOptions->SCF->SetGVBNumOpenShells(NumOpenOrbs); in OpenGAMESSlog()2882 if (NumOpenOrbs > 0) { //Parse the occupancies of the open shells in OpenGAMESSlog()2906 for (int nShell=0; nShell<NumOpenOrbs; ++nShell) { in OpenGAMESSlog()