| /dports/science/openmx/openmx3.8/source/ |
| H A D | Force_HNL.c | 30 int *OneD2h_AN,*OneD2q_AN; in Force_HNL() local
774 OneD2h_AN = (int*)malloc(sizeof(int)*(FNAN[Gc_AN]+1)*(FNAN[Gc_AN]+2)/2); in Force_HNL()
784 OneD2h_AN[ODNloop] = h_AN; in Force_HNL()
791 #pragma omp parallel shared(ODNloop,OneD2h_AN,OneD2q_AN,Mc_AN,Gc_AN,kk,dEx_threads,CDM0,SpinP_switc… in Force_HNL()
811 h_AN = OneD2h_AN[Nloop]; in Force_HNL()
902 free(OneD2h_AN); in Force_HNL()
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| H A D | Set_Hamiltonian.c | 199 int *OneD2spin,*OneD2Mc_AN,*OneD2h_AN; in Calc_MatrixElements_dVH_Vxc_VNA() local
219 OneD2h_AN = (int*)malloc(sizeof(int)*Nloop); in Calc_MatrixElements_dVH_Vxc_VNA()
227 OneD2h_AN[Nloop] = h_AN; in Calc_MatrixElements_dVH_Vxc_VNA()
292 int h_AN = OneD2h_AN[Nloop]; in Calc_MatrixElements_dVH_Vxc_VNA()
769 free(OneD2h_AN); in Calc_MatrixElements_dVH_Vxc_VNA()
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| H A D | Set_ProExpn_VNA.c | 101 int OneD_Nloop,*OneD2Mc_AN,*OneD2h_AN; in Set_ProExpn() local
246 OneD2h_AN[OneD_Nloop] = h_AN; in Set_ProExpn()
402 h_AN = OneD2h_AN[Nloop]; in Set_ProExpn()
1375 free(OneD2h_AN); in Set_ProExpn()
1408 int OneD_Nloop,*OneD2Mc_AN,*OneD2h_AN; in Set_VNA2() local
1449 OneD2h_AN[OneD_Nloop] = h_AN; in Set_VNA2()
1589 h_AN = OneD2h_AN[Nloop]; in Set_VNA2()
2096 free(OneD2h_AN); in Set_VNA2()
2169 OneD2h_AN[OneD_Nloop] = h_AN; in Set_VNA3()
2309 h_AN = OneD2h_AN[Nloop]; in Set_VNA3()
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| H A D | Set_OLP_Kin.c | 55 int *OneD2Mc_AN,*OneD2h_AN; in Set_OLP_Kin() local
103 OneD2h_AN = (int*)malloc(sizeof(int)*(OneD_Nloop+1)); in Set_OLP_Kin()
110 OneD2h_AN[OneD_Nloop] = h_AN; in Set_OLP_Kin()
213 h_AN = OneD2h_AN[Nloop]; in Set_OLP_Kin()
826 free(OneD2h_AN); in Set_OLP_Kin()
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| H A D | Set_Nonlocal.c | 85 int OneD_Nloop,*OneD2Mc_AN,*OneD2h_AN; in Nonlocal0() local
128 OneD2h_AN = (int*)malloc(sizeof(int)*(OneD_Nloop+1)); in Nonlocal0()
135 OneD2h_AN[OneD_Nloop] = h_AN; in Nonlocal0()
147 …MaxL_Basis,PAO_Nkmax,VPS_j_dependency,atv,Gxyz,WhatSpecies,ncn,natn,M2G,OneD2h_AN,OneD2Mc_AN,OneD_… in Nonlocal0()
294 h_AN = OneD2h_AN[Nloop]; in Nonlocal0()
1116 …cy,Spe_Total_VPS_Pro,RMI1,F_G2M,natn,Spe_Atom_Cut1,FNAN,WhatSpecies,M2G,OneD2h_AN,OneD2Mc_AN,OneD_… in Nonlocal0()
1155 j = OneD2h_AN[Nloop]; in Nonlocal0()
1250 free(OneD2h_AN); in Nonlocal0()
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| H A D | Total_Energy.c | 41 int OneD_Nloop,*OneD2Mc_AN,*OneD2h_AN; variable
74 OneD2h_AN = (int*)malloc(sizeof(int)*(OneD_Nloop+1)); in Total_Energy()
81 OneD2h_AN[OneD_Nloop] = h_AN; in Total_Energy()
254 free(OneD2h_AN); in Total_Energy()
325 h_AN = OneD2h_AN[Nloop]; in Calc_Ekin()
384 h_AN = OneD2h_AN[Nloop]; in Calc_Ekin()
539 h_AN = OneD2h_AN[Nloop]; in Calc_Ena()
580 #pragma omp parallel shared(time_per_atom,HVNA,DM,Spe_Total_CNO,natn,WhatSpecies,M2G,OneD2h_AN,OneD… in Calc_Ena()
598 h_AN = OneD2h_AN[Nloop]; in Calc_Ena()
750 h_AN = OneD2h_AN[Nloop]; in Calc_Enl()
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| H A D | Force.c | 3122 int *OneD2h_AN,*OneD2q_AN; in Force_HNL() local
4252 OneD2h_AN = (int*)malloc(sizeof(int)*(FNAN[Gc_AN]+1)*(FNAN[Gc_AN]+2)); in Force_HNL()
4270 OneD2h_AN[ODNloop] = h_AN; in Force_HNL()
4316 h_AN = OneD2h_AN[Nloop]; in Force_HNL()
4486 free(OneD2h_AN); in Force_HNL()
4574 int *OneD2h_AN,*OneD2q_AN; in Force4B() local
5501 OneD2h_AN = (int*)malloc(sizeof(int)*(FNAN[Gc_AN]+1)*(FNAN[Gc_AN]+2)); in Force4B()
5517 OneD2h_AN[ODNloop] = h_AN; in Force4B()
5524 #pragma omp parallel shared(ODNloop,OneD2h_AN,OneD2q_AN,Mc_AN,Gc_AN,dEx_threads,dEy_threads,dEz_thr… in Force4B()
5554 h_AN = OneD2h_AN[Nloop]; in Force4B()
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| H A D | Stress.c | 3024 int *OneD2h_AN,*OneD2q_AN; in Stress4B() local
4634 int *OneD2h_AN,*OneD2q_AN; in Stress_HNL() local
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