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Searched refs:F_G2M (Results 1 – 25 of 42) sorted by relevance

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/dports/science/openmx/openmx3.8/source/
H A DTRAN_Output_Trans_HS.c43 int *F_G2M,
69 int *F_G2M,
101 int *F_G2M, in TRAN_Output_Trans_HS() argument
130 F_G2M, in TRAN_Output_Trans_HS()
160 F_G2M, in TRAN_Output_Trans_HS()
197 int *F_G2M, in TRAN_Output_Trans_HS_Normal() argument
488 Mc_AN = F_G2M[Gc_AN]; in TRAN_Output_Trans_HS_Normal()
1076 Mc_AN = F_G2M[Gc_AN]; in TRAN_Output_Trans_HS_Direct()
1258 Mc_AN = F_G2M[Gc_AN]; in TRAN_Output_Trans_HS_Direct()
1331 Mc_AN = F_G2M[Gc_AN]; in TRAN_Output_Trans_HS_Direct()
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H A DForce_HNL.c276 Mh_AN = F_G2M[Gh_AN]; in Force_HNL()
286 Mj_AN0 = F_G2M[jg0]; in Force_HNL()
297 Mq_AN = F_G2M[Gq_AN]; in Force_HNL()
430 …itch,CntHVNA2,HVNA2,DS_VNA,Cnt_switch,RMI1,FNAN,Spe_Total_CNO,WhatSpecies,F_G2M,natn,M2G,Matomnum,… in Force_HNL()
455 Mh_AN = F_G2M[Gh_AN]; in Force_HNL()
462 Mq_AN = F_G2M[Gq_AN]; in Force_HNL()
791 …nP_switch,CntHVNA2,HVNA2,DS_VNA,Cnt_switch,RMI1,Spe_Total_CNO,WhatSpecies,F_G2M,natn,FNAN,List_YOU… in Force_HNL()
817 Mh_AN = F_G2M[Gh_AN]; in Force_HNL()
824 Mq_AN = F_G2M[Gq_AN]; in Force_HNL()
H A DTRAN_Output_HKS.c227 Mc_AN = F_G2M[Gc_AN]; in TRAN_Output_HKS()
294 Mc_AN = F_G2M[Gc_AN]; in TRAN_Output_HKS()
362 Mc_AN = F_G2M[Gc_AN]; in TRAN_Output_HKS()
432 Mc_AN = F_G2M[Gc_AN]; in TRAN_Output_HKS()
H A DEff_Hub_Pot.c79 Mj_AN = F_G2M[jg]; in Eff_Hub_Pot()
128 Mj_AN = F_G2M[jg]; in H_U_onsite()
171 Mj_AN = F_G2M[jg]; in H_U_onsite()
433 Mk_AN = F_G2M[kg]; /* F_G2G should be used */ in H_U_full()
503 Mk_AN = F_G2M[kg]; /* F_G2G should be used */ in H_U_full()
594 Mj_AN = F_G2M[jg]; in H_U_dual()
637 Mj_AN = F_G2M[jg]; in H_U_dual()
H A DSCF2File.c431 Mc_AN = F_G2M[Gc_AN]; in Output()
492 Mc_AN = F_G2M[Gc_AN]; in Output()
540 Mc_AN = F_G2M[Gc_AN]; in Output()
595 Mc_AN = F_G2M[Gc_AN]; in Output()
640 Mc_AN = F_G2M[Gc_AN]; in Output()
685 Mc_AN = F_G2M[Gc_AN]; in Output()
733 Mc_AN = F_G2M[Gc_AN]; in Output()
963 Mh_AN = F_G2M[Gh_AN]; in Calc_OLPpo()
H A Dtran_prototypes.h313 int *F_G2M,
422 int *F_G2M,
731 int *F_G2M,
H A DCont_Matrix0.c31 Mh_AN = F_G2M[Gh_AN]; in Cont_Matrix0()
H A DCont_Matrix4.c32 Mh_AN = F_G2M[Gh_AN]; in Cont_Matrix4()
H A DCont_Matrix1.c31 Mh_AN = F_G2M[Gh_AN]; in Cont_Matrix1()
H A DContract_iHNL.c31 Mh_AN = F_G2M[Gh_AN]; in Contract_iHNL()
H A DContract_Hamiltonian.c33 Mh_AN = F_G2M[Gh_AN]; in Contract_Hamiltonian()
H A DTRAN_DFT_NC.c90 int *F_G2M,
160 int *F_G2M, in TRAN_DFT_NC() argument
199 F_G2M, in TRAN_DFT_NC()
253 int *F_G2M, in TRAN_DFT_Original() argument
586 MA_AN = F_G2M[GA_AN]; in TRAN_DFT_Original()
H A DForce.c1017 Mh_AN = F_G2M[Gh_AN]; in Force()
1030 Mq_AN = F_G2M[Gq_AN]; in Force()
1775 Mh_AN = F_G2M[Gh_AN]; in Force()
2734 Mh_AN = F_G2M[Gh_AN]; in Force3_org3665()
3784 Mq_AN = F_G2M[Gq_AN]; in Force_HNL()
4979 Mq_AN = F_G2M[Gq_AN]; in Force4B()
5169 Mq_AN = F_G2M[Gq_AN]; in Force4B()
5757 Mi_AN = F_G2M[ig]; in dHNL()
5763 Mj_AN = F_G2M[jg]; in dHNL()
6699 Mi_AN = F_G2M[ig]; in dHVNA()
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H A DTRAN_DFT.c118 int *F_G2M,
185 int *F_G2M, in TRAN_DFT() argument
221 F_G2M, in TRAN_DFT()
611 int *F_G2M, in TRAN_DFT_Original() argument
933 MA_AN = F_G2M[GA_AN]; in TRAN_DFT_Original()
H A DOutput_Energy_Decomposition.c68 Mc_AN = F_G2M[Gc_AN]; in Output_Energy_Decomposition()
H A DVoronoi_Orbital_Moment.c436 Mh_AN = F_G2M[Gh_AN]; in Voronoi_Orbital_Moment()
492 ML_AN = F_G2M[GL_AN]; in Voronoi_Orbital_Moment()
497 MR_AN = F_G2M[GR_AN]; in Voronoi_Orbital_Moment()
H A DAllocate_Arrays.c174 F_G2M = (int*)malloc(sizeof(int)*(atomnum+1)); in Allocate_Arrays()
177 F_G2M[i] = -1; in Allocate_Arrays()
H A DDFT.c1325 M2G, G2ID, F_G2M, atv_ijk, List_YOUSO, in DFT()
1332 M2G, G2ID, F_G2M, atv_ijk, List_YOUSO,koS,S_Band, in DFT()
1566 M2G, G2ID, F_G2M, atv_ijk, List_YOUSO, in DFT()
1573 M2G, G2ID, F_G2M, atv_ijk, List_YOUSO,koS,S_Band, in DFT()
1991 Max_FSNAN, ScaleSize, F_G2M, TCpyCell, List_YOUSO, in DFT()
H A DStress.c1469 Mh_AN = F_G2M[Gh_AN]; in Stress()
1490 Mq_AN = F_G2M[Gq_AN]; in Stress()
3463 Mq_AN = F_G2M[Gq_AN]; in Stress4B()
3695 Mq_AN = F_G2M[Gq_AN]; in Stress4B()
4951 Mh_AN = F_G2M[Gh_AN]; in Stress_HNL()
5457 Mq_AN = F_G2M[Gq_AN]; in Stress_HNL()
5944 Mh_AN = F_G2M[Gh_AN]; in Stress_plus_U_dual()
6079 Mi_AN = F_G2M[ig]; in dHVNA()
6085 Mj_AN = F_G2M[jg]; in dHVNA()
6574 Mi_AN = F_G2M[ig]; in dHNL()
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H A DBand_DFT_Col.c1624 MA_AN = F_G2M[GA_AN]; in Band_DFT_Col()
1724 MA_AN = F_G2M[GA_AN]; in Band_DFT_Col()
2500 MA_AN = F_G2M[GA_AN]; in Band_DFT_Col()
2593 MA_AN = F_G2M[GA_AN]; in Band_DFT_Col()
H A DOccupation_Number_LDA_U.c761 ML_AN = F_G2M[GL_AN]; in occupation_full()
766 MR_AN = F_G2M[GR_AN]; in occupation_full()
821 ML_AN = F_G2M[GL_AN]; in occupation_full()
826 MR_AN = F_G2M[GR_AN]; in occupation_full()
1119 ML_AN = F_G2M[GL_AN]; in occupation_full()
1124 MR_AN = F_G2M[GR_AN]; in occupation_full()
1541 Mh_AN = F_G2M[Gh_AN]; in occupation_dual()
2124 Mh_AN = F_G2M[Gh_AN]; in occupation_dual()
4869 Mc_AN = F_G2M[Gc_AN]; in Output_Collinear_OcpN()
5097 Mc_AN = F_G2M[Gc_AN]; in Output_NonCollinear_OcpN()
H A DSet_Density_Grid.c325 …nt_kind,GListTAtoms2,GListTAtoms1,NumOLG,CDM,SpinP_switch,WhatSpecies,ncn,F_G2M,natn,Spe_Total_CNO… in Set_Density_Grid()
392 Mh_AN = F_G2M[Gh_AN]; in Set_Density_Grid()
H A DBand_DFT_Col_ScaLAPACK.c1550 MA_AN = F_G2M[GA_AN]; in Band_DFT_Col_ScaLAPACK()
1661 MA_AN = F_G2M[GA_AN]; in Band_DFT_Col_ScaLAPACK()
2485 MA_AN = F_G2M[GA_AN]; in Band_DFT_Col_ScaLAPACK()
2584 MA_AN = F_G2M[GA_AN]; in Band_DFT_Col_ScaLAPACK()
H A DSet_Nonlocal.c978 Mj_AN0 = F_G2M[jg0]; in Nonlocal0()
1116 …pe_VPS_List,Spe_VNLE,Spe_Num_RVPS,VPS_j_dependency,Spe_Total_VPS_Pro,RMI1,F_G2M,natn,Spe_Atom_Cut1… in Nonlocal0()
1167 Mj_AN = F_G2M[jg]; in Nonlocal0()
H A DOutData_Binary.c2299 Mc_AN = F_G2M[Gc_AN]; in out_OrbOpt()
2402 Mc_AN = F_G2M[Gc_AN]; in out_OrbOpt()
2855 …bs_Grid,GListTAtoms2,GListTAtoms1,NumOLG,CDM,SpinP_switch,WhatSpecies,ncn,F_G2M,natn,Spe_Total_CNO… in Set_Partial_Density_Grid()
2905 Mh_AN = F_G2M[Gh_AN]; in Set_Partial_Density_Grid()

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