Lines Matching refs:nOrbs
1216 long nOrbs = MainData->Basis->GetNumBasisFuncs(false); in OpenMKLFile() local
1218 OrbitalRec *OrbSet = new OrbitalRec(nOrbs, nOrbs, nOrbs); in OpenMKLFile()
1262 for (long iLine=0; iLine < nOrbs; ++iLine) { in OpenMKLFile()
1273 OrbSet->Vectors[(symCount-iSymCount)*nOrbs+iCoef*nOrbs+iLine] = tmpCoef; in OpenMKLFile()
1306 long nOrbs = MainData->Basis->GetNumBasisFuncs(false); in OpenMKLFile() local
1348 for (long iLine=0; iLine < nOrbs; ++iLine) { in OpenMKLFile()
1359 lFrame->Orbs[0]->VectorsB[(symCount-iSymCount)*nOrbs+iCoef*nOrbs+iLine] = tmpCoef; in OpenMKLFile()
1392 long nOrbs = MainData->Basis->GetNumBasisFuncs(false); in OpenMKLFile() local
1393 lFrame->Orbs[0]->OrbOccupation = new float[nOrbs]; in OpenMKLFile()
1408 while (bytesRead < lineBytes && lineOccs < 5 && occCount < nOrbs) { in OpenMKLFile()
1425 if (occCount < nOrbs) in OpenMKLFile()
1448 long nOrbs = MainData->Basis->GetNumBasisFuncs(false); in OpenMKLFile() local
1449 lFrame->Orbs[0]->OrbOccupationB = new float[nOrbs]; in OpenMKLFile()
1463 while (bytesRead < lineBytes && lineOccs < 5 && occCount < nOrbs) { in OpenMKLFile()
1480 if (occCount < nOrbs) in OpenMKLFile()