Searched defs:pOrb (Results 1 – 6 of 6) sorted by relevance
| /dports/science/iboview/ibo-view.20150427/src/IrCore/ |
| H A D | IrImportTrafo.cpp | 198 void Vec_CaMolden2CaMolpro(double *pOrb, size_t *ls, size_t N) in Vec_CaMolden2CaMolpro()
240 void Vec_ShMolden2ShMolpro(double *pOrb, size_t *ls, size_t N) in Vec_ShMolden2ShMolpro()
292 void Vec_Ca2Ca_XSqrtNorm(double *pOrb, size_t *ls, size_t N) in Vec_Ca2Ca_XSqrtNorm()
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| /dports/science/iboview/ibo-view.20150427/src/IboView/ |
| H A D | IvIao.cpp | 820 FOrbital *pOrb = RefOrbitals[iOcc]; in RunIaoAnalysis() local
843 *pOrb = dynamic_cast<FOrbital*>(m_Data[i].get()); in RunIaoAnalysis() local
857 FOrbital *pOrb = dynamic_cast<FOrbital*>(m_Data[i].get()); in RunIaoAnalysis() local
872 FOrbital *pOrb = dynamic_cast<FOrbital*>(m_Data[i].get()); in RunIaoAnalysis() local
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| H A D | IvDocument.cpp | 383 *pOrb = dynamic_cast<FOrbital*>(itDataSet->get()); in FindOrbitalsOnSelectedAtoms() local
592 FOrbital *pOrb = this; in InvalidateColors() local
934 *pOrb = dynamic_cast<FOrbital*>(pLastFrame->m_Data[i].get()); in MakeOrbitalMatrix() local
976 *pOrb = RefOrbitals[i]; in MakeOrbitalMatrix() local
2102 *pOrb = dynamic_cast<FOrbital*>(itDataSet->get()); in RunChargeAnalysis() local
2512 *pOrb = dynamic_cast<FOrbital*>(FrameData[iMo].get()); in AlignFrames() local
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| H A D | IvMain.cpp | 1037 *pOrb = dynamic_cast<FOrbital*>(pDataSet.get()); in onActiveDatasetChanged() local
1114 *pOrb = dynamic_cast<FOrbital*>(pDataSet.get()); in onOrbitalColorChanged() local
1251 *pOrb = dynamic_cast<FOrbital*>(pDataSet.get()); in onFlipOrbitalClicked() local
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| H A D | IvOrbitalFile.cpp | 1466 double *pOrb = &Row[0]; in ReadMoSection() local
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| /dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/ |
| H A D | InputData.cpp | 4275 long iline, nVec, nn, nOrbs, pOrb; in WriteVecGroup() local
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