| /dports/science/qbox/qbox-public-rel1_73_3/src/ |
| H A D | Wavefunction.cpp | 111 for ( int isp_loc = 0; isp_loc < sd_.size(); ++isp_loc ) in allocate() local
125 for ( int isp_loc = 0; isp_loc < sd_.size(); ++isp_loc ) in deallocate() local
202 for ( int isp_loc = 0; isp_loc < sd_.size(); ++isp_loc ) in entropy() local
281 for ( int isp_loc = 0; isp_loc < sd_.size(); ++isp_loc ) in init() local
294 for ( int isp_loc = 0; isp_loc < sd_.size(); ++isp_loc ) in clear() local
542 const int isp_loc = isp_local(ispin); in move_kpoint() local
753 const int isp_loc = isp_local(ispin); in update_occ() local
860 for ( int isp_loc = 0; isp_loc < nsp_loc(); ++isp_loc ) in diag() local
960 const int isp_loc = isp_local(ispin); in print() local
1041 const int isp_loc = isp_local(ispin); in write() local
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| H A D | Preconditioner.cpp | 33 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in Preconditioner() local
49 double Preconditioner::diag(int isp_loc, int ikp_loc, int n, int ig) const in diag()
91 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in update() local
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| H A D | ChargeDensity.cpp | 142 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update_density() local
242 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update_taur() local
270 const int isp_loc = wf_.isp_local(ispin); in update_taur() local
337 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update_rhog() local
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| H A D | PSDWavefunctionStepper.cpp | 43 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update() local
85 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update() local
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| H A D | Occ.h | 133 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in set() local
172 int isp_loc = wf.isp_local(ispin); in print() local
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| H A D | MDWavefunctionStepper.cpp | 43 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update() local
106 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in compute_wfm() local
155 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in compute_wfv() local
235 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in ekin_eh() local
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| H A D | JDWavefunctionStepper.cpp | 53 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update() local
100 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update() local
208 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update() local
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| H A D | SDWavefunctionStepper.cpp | 38 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update() local
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| H A D | BOSampleStepper.cpp | 303 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in step() local
579 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in step() local
983 const int isp_loc = wf.isp_local(ispin); in step() local
1045 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in step() local
1112 const int isp_loc = wf.isp_local(ispin); in step() local
1134 const int isp_loc = wf.isp_local(ispin); in step() local
1368 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in step() local
1425 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in step() local
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| H A D | EnergyFunctional.cpp | 111 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in EnergyFunctional() local
209 for ( int isp_loc = 0; isp_loc < nlp.size(); ++isp_loc ) in ~EnergyFunctional() local
428 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in energy() local
446 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in energy() local
701 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in energy() local
792 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in energy() local
1238 for ( int isp_loc = 0; isp_loc < nlp.size(); ++isp_loc ) in cell_moved() local
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| H A D | PSDAWavefunctionStepper.cpp | 49 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update() local
89 for ( int isp_loc = 0; isp_loc < wf_.nsp_loc(); ++isp_loc ) in update() local
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| H A D | ComputeMLWFCmd.cpp | 50 const int isp_loc = wf.isp_local(ispin); in action() local
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| H A D | ExchangeOperator.cpp | 114 const int isp_loc = s_.wf.isp_local(0); in ExchangeOperator() local
126 const int isp_loc = s_.wf.isp_local(ispin); in ExchangeOperator() local
149 for ( int isp_loc = 0; isp_loc < s_.wf.nsp_loc(); ++isp_loc ) in ExchangeOperator() local
197 for ( int isp_loc = 0; isp_loc < s_.wf.nsp_loc(); ++isp_loc ) in ExchangeOperator() local
235 for ( int isp_loc = 0; isp_loc < s_.wf.nsp_loc(); ++isp_loc ) in ~ExchangeOperator() local
275 for ( int isp_loc = 0; isp_loc < s_.wf.nsp_loc(); ++isp_loc ) in apply_VXC_() local
1000 for ( int isp_loc = 0; isp_loc < wfc_.nsp_loc(); ++isp_loc ) in compute_exchange_at_gamma_() local
2231 int isp_loc = wfc_.isp_local(ispin); in compute_exchange_at_gamma_() local
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| H A D | BisectionCmd.h | 107 for ( int isp_loc = 0; isp_loc < wf.nsp_loc(); ++isp_loc ) in action() local
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| H A D | WavefunctionHandler.cpp | 312 int isp_loc = wf_.isp_local(current_ispin); in startElement() local
382 int isp_loc = wf_.isp_local(current_ispin); in endElement() local
404 int isp_loc = wf_.isp_local(ispin); in endElement() local
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| H A D | Wavefunction.h | 76 SlaterDet* sd(int isp_loc, int ikp_loc) const in sd()
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| H A D | SpectrumCmd.cpp | 121 const int isp_loc = wf.isp_local(ispin); in action() local
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| H A D | XCPotential.cpp | 664 for ( int isp_loc = 0; isp_loc < wf0.nsp_loc(); ++isp_loc ) in compute_stress() local
908 for ( int isp_loc = 0; isp_loc < wf0.nsp_loc(); ++isp_loc ) in compute_stress() local
1270 for ( int isp_loc = 0; isp_loc < wf0.nsp_loc(); ++isp_loc ) in apply_meta_operator() local
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