| /dports/science/openmx/openmx3.8/source/ |
| H A D | DIIS_Mixing_DM.c | 141 || Zeeman_NCO_switch==1 )){ in DIIS_Mixing_DM()
195 || Zeeman_NCO_switch==1 )){ in DIIS_Mixing_DM()
241 …=1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1 ) in DIIS_Mixing_DM()
274 …==1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in DIIS_Mixing_DM()
352 …==1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in DIIS_Mixing_DM()
405 …==1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in DIIS_Mixing_DM()
509 …==1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in DIIS_Mixing_DM()
584 …==1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in DIIS_Mixing_DM()
663 …==1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in DIIS_Mixing_DM()
728 …==1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in DIIS_Mixing_DM()
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| H A D | ADIIS_Mixing_DM.c | 130 || Zeeman_NCO_switch==1 )){ in ADIIS_Mixing_DM()
570 …==1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in ADIIS_Mixing_DM()
646 …==1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in ADIIS_Mixing_DM()
695 …==1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in ADIIS_Mixing_DM()
737 …==1 || Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in ADIIS_Mixing_DM()
826 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1)){ in ADIIS_Mixing_DM()
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| H A D | Simple_Mixing_DM.c | 91 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1 )){ in Simple_Mixing_DM()
246 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1 )) && spin<=1 ){ in Simple_Mixing_DM()
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| H A D | Hamiltonian_Cluster_NC.c | 156 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0) in Hamiltonian_Cluster_NC()
177 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Hamiltonian_Cluster_NC()
262 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Hamiltonian_Cluster_NC()
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| H A D | Free_Arrays.c | 478 … if (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in array0()
510 if (Zeeman_NCO_switch==1){ in array0()
1127 … if (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in array0()
1158 … if (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in array0()
1191 … if ( (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in array0()
1225 …if ( (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in array0()
1303 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) ){ in array0()
2175 if (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in array0()
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| H A D | Force.c | 212 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1 ){ in Force()
266 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in Force()
303 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in Force()
500 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in Force()
1022 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) ) in Force()
1053 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1 ){ in Force()
1249 && Constraint_NCS_switch==0 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0)){ in Force()
1278 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) ){ in Force()
2091 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1 ){ in Force()
3833 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1)){ in Force_HNL()
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| H A D | Divide_Conquer.c | 1847 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in DC_NonCol()
2188 …d(List_YOUSO,time_per_atom,Residues,EVal,S12,OLP_eigen_cut,ImNL,Hks,Zeeman_NCO_switch,Zeeman_NCS_s… in DC_NonCol()
2288 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in DC_NonCol()
2565 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in DC_NonCol()
2809 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) && spin==0 ){ in DC_NonCol()
2822 #pragma omp parallel shared(iDM,Zeeman_NCO_switch,Zeeman_NCS_switch,Constraint_NCS_switch,Hub_U_swi… in DC_NonCol()
2874 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in DC_NonCol()
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| H A D | truncation.c | 752 if (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in truncation()
799 if (Zeeman_NCO_switch==1){ in truncation()
1578 if (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in truncation()
1631 if (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in truncation()
1667 …if ( (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) in truncation()
1712 || Zeeman_NCO_switch==1) && SpinP_switch==3 ){ in truncation()
1805 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) ){ in truncation()
2843 if (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in truncation()
2848 if (Zeeman_NCO_switch==1){ in truncation()
5487 if (Zeeman_NCO_switch==1){ in free_arrays_truncation0()
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| H A D | Band_DFT_kpath.c | 839 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_kpath_NonCol()
1017 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_kpath_NonCol()
1294 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_kpath_NonCol()
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| H A D | Hamiltonian_Band_NC.c | 151 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Hamiltonian_Band_NC()
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| H A D | EC.c | 4373 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in DC_NonCol()
4714 …d(List_YOUSO,time_per_atom,Residues,EVal,S12,OLP_eigen_cut,ImNL,Hks,Zeeman_NCO_switch,Zeeman_NCS_s… in DC_NonCol()
4814 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in DC_NonCol()
5091 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in DC_NonCol()
5335 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) && spin==0 ){ in DC_NonCol()
5348 #pragma omp parallel shared(iDM,Zeeman_NCO_switch,Zeeman_NCS_switch,Constraint_NCS_switch,Hub_U_swi… in DC_NonCol()
5400 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in DC_NonCol()
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| H A D | DFT.c | 1051 … && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0) /* non-spin-orbit coupling and non-LDA+U */ in DFT()
1869 || Zeeman_NCO_switch==1){ in DFT()
2020 || Zeeman_NCO_switch==1){ in DFT()
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| H A D | Band_DFT_Dosout.c | 1600 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_DosoutGauss_NonCol()
1891 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0) in Band_DFT_DosoutGauss_NonCol()
2673 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_DosoutGauss_NonCol()
4377 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_Dosout_NonCol()
4631 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0) in Band_DFT_Dosout_NonCol()
4980 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0) in Band_DFT_Dosout_NonCol()
5788 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_Dosout_NonCol()
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| H A D | Eff_Hub_Pot.c | 43 || Zeeman_NCO_switch==1) { in Eff_Hub_Pot()
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| H A D | Band_DFT_NonCol.c | 702 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_NonCol()
769 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_NonCol()
1888 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_NonCol()
2641 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_NonCol()
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| H A D | Stress.c | 206 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1 ){ in Stress()
287 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in Stress()
484 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in Stress()
1482 || Constraint_NCS_switch==1 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) ) in Stress()
1685 && Constraint_NCS_switch==0 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0)){ in Stress()
1741 || Constraint_NCS_switch==1 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1) ){ in Stress()
2119 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1 ){ in Stress()
5014 && Constraint_NCS_switch==0 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0)){ in Stress_HNL()
5051 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1)){ in Stress_HNL()
5499 && Constraint_NCS_switch==0 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0)){ in Stress_HNL()
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| H A D | Input_std.c | 864 input_logical("scf.NC.Zeeman.Orbital",&Zeeman_NCO_switch,0); in Input_std()
866 if (SpinP_switch!=3 && Zeeman_NCO_switch==1){ in Input_std()
875 if (Zeeman_NCO_switch==1 && Hub_U_occupation!=2){ in Input_std()
884 if (Zeeman_NCO_switch==1 && SO_switch==0){ in Input_std()
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| H A D | Allocate_Arrays.c | 224 … if (Hub_U_switch==1 || 1<=Constraint_NCS_switch || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1){ in Allocate_Arrays()
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| H A D | Band_DFT_MO.c | 1076 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_MO_NonCol()
1116 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Band_DFT_MO_NonCol()
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| H A D | openmx_common.h | 2453 int Zeeman_NCS_switch,Zeeman_NCO_switch; variable
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| H A D | Divide_Conquer_Dosout.c | 1601 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0 ){ in DC_Dosout_NonCol()
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| H A D | Unfolding_Bands.c | 1519 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Unfolding_Bands_NonCol()
1884 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Unfolding_Bands_NonCol()
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| H A D | Cluster_DFT_ScaLAPACK.c | 2285 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Cluster_non_collinear()
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| H A D | Cluster_DFT.c | 2354 && Zeeman_NCS_switch==0 && Zeeman_NCO_switch==0){ in Cluster_non_collinear()
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| H A D | Mixing_H.c | 2766 || Zeeman_NCS_switch==1 || Zeeman_NCO_switch==1 )) && spin<=1 ){ in Simple_Mixing_H()
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