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Searched refs:Vpot_Grid (Results 1 – 9 of 9) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DSet_Hamiltonian.c342 double AI_tmp_GVVG = GridVol * Vpot_Grid[0][MN]; in Calc_MatrixElements_dVH_Vxc_VNA()
430 double AI_tmp_GVVG = GridVol * Vpot_Grid[0][MN]; in Calc_MatrixElements_dVH_Vxc_VNA()
431 double AI_tmp_GVVG1 = GridVol * Vpot_Grid[1][MN]; in Calc_MatrixElements_dVH_Vxc_VNA()
607 double AI_tmp_GVVG = GridVol * Vpot_Grid[0][MN]; in Calc_MatrixElements_dVH_Vxc_VNA()
608 double AI_tmp_GVVG1 = GridVol * Vpot_Grid[1][MN]; in Calc_MatrixElements_dVH_Vxc_VNA()
609 double AI_tmp_GVVG2 = GridVol * Vpot_Grid[2][MN]; in Calc_MatrixElements_dVH_Vxc_VNA()
610 double AI_tmp_GVVG3 = GridVol * Vpot_Grid[3][MN]; in Calc_MatrixElements_dVH_Vxc_VNA()
H A DTotal_Energy.c2173 vpot = Vpot_Grid[0][MN]; in Calc_EXC_EH1()
2264 sum += aden*Vpot_Grid[0][MNc]; in Calc_EXC_EH1()
2284 Data_Grid_Copy_B2C_2( Vxc_Grid_B, Vpot_Grid ); in Calc_EXC_EH1()
2315 vpot = Vpot_Grid[spin][MN]; in Calc_EXC_EH1()
2426 sum0 += pccden*Vpot_Grid[spin0][MNc]; in Calc_EXC_EH1()
2427 sum1 += pccden*Vpot_Grid[spin1][MNc]; in Calc_EXC_EH1()
2487 sum += aden*Vpot_Grid[0][MNc]; in Calc_EXC_EH1()
2529 sum += pccden*Vpot_Grid[0][MNc]; in Calc_EXC_EH1()
2666 Data_Grid_Copy_B2C_1( VNA_Grid_B, Vpot_Grid[0] ); in Calc_EXC_EH1()
2689 vpot = Vpot_Grid[0][MN]; in Calc_EXC_EH1()
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H A Dtran_prototypes.h249 double **Vpot_Grid,
H A DSet_Vpot.c269 Data_Grid_Copy_B2C_2( Vpot_Grid_B, Vpot_Grid ); in Set_Vpot()
H A DFree_Arrays.c119 free(Vpot_Grid[k]); in array0()
121 free(Vpot_Grid); in array0()
125 free(Vpot_Grid[k]); in array0()
127 free(Vpot_Grid); in array0()
H A Dtruncation.c2923 Vpot_Grid = (double**)malloc(sizeof(double*)*4); in truncation()
2925 Vpot_Grid[k] = (double*)malloc(sizeof(double)*N); in truncation()
2929 Vpot_Grid = (double**)malloc(sizeof(double*)*2); in truncation()
2931 Vpot_Grid[k] = (double*)malloc(sizeof(double)*N); in truncation()
7133 free(Vpot_Grid[k]); in free_arrays_truncation0()
7135 free(Vpot_Grid); in free_arrays_truncation0()
7139 free(Vpot_Grid[k]); in free_arrays_truncation0()
7141 free(Vpot_Grid); in free_arrays_truncation0()
H A DOutData_Binary.c790 Work_Array_Snd_Grid_C2B[LN] = Vpot_Grid[0][CN]; in out_Veff()
793 Work_Array_Snd_Grid_C2B[2*LN+0] = Vpot_Grid[0][CN]; in out_Veff()
794 Work_Array_Snd_Grid_C2B[2*LN+1] = Vpot_Grid[1][CN]; in out_Veff()
H A DOutData.c753 Work_Array_Snd_Grid_C2B[LN] = Vpot_Grid[0][CN]; in out_Veff()
756 Work_Array_Snd_Grid_C2B[2*LN+0] = Vpot_Grid[0][CN]; in out_Veff()
757 Work_Array_Snd_Grid_C2B[2*LN+1] = Vpot_Grid[1][CN]; in out_Veff()
H A Dopenmx_common.h1100 double **Vpot_Grid; variable