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Searched refs:Spe_VNLE (Results 1 – 7 of 7) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DAllocate_Arrays.c583 Spe_VNLE = (double***)malloc(sizeof(double**)*(SO_switch+1)); in Allocate_Arrays()
585 Spe_VNLE[so] = (double**)malloc(sizeof(double*)*List_YOUSO[18]); in Allocate_Arrays()
587 Spe_VNLE[so][i] = (double*)malloc(sizeof(double)*List_YOUSO[19]); in Allocate_Arrays()
588 for (j=0; j<List_YOUSO[19]; j++) Spe_VNLE[so][i][j] = 0.0; in Allocate_Arrays()
H A DSetPara_DFT.c712 Spe_VNLE[0][spe][i] = dum0; in Read_VPS()
723 Spe_VNLE[0][spe][i] = dum0; in Read_VPS()
724 Spe_VNLE[1][spe][i] = dum1; in Read_VPS()
731 Spe_VNLE[0][spe][i] = ( (double)(LVPS+1)*dum0+(double)LVPS*dum1 )/(double)(2*LVPS+1); in Read_VPS()
952 fscanf(fp,"%d %lf",&j,&Spe_VNLE[0][spe][i]); in Read_VPS()
954 printf("<Read_VPS> i=%2d Spe_VNLE=%15.12f\n",j,Spe_VNLE[0][spe][i]); in Read_VPS()
H A DSet_Nonlocal.c1116 …0,F_NL_flag,List_YOUSO,Dis,SpinP_switch,Spe_Total_NO,DS_NL,Spe_VPS_List,Spe_VNLE,Spe_Num_RVPS,VPS_… in Nonlocal0()
1292 ene = Spe_VNLE[0][wakg][L1-1]; in Multiply_DS_NL()
1325 ene_p = Spe_VNLE[0][wakg][L1-1]; in Multiply_DS_NL()
1326 ene_m = Spe_VNLE[1][wakg][L1-1]; in Multiply_DS_NL()
H A DForce.c5810 ene = Spe_VNLE[0][wakg][l1-1]; in dHNL()
5867 ene_p = Spe_VNLE[0][wakg][l1-1]; in dHNL()
5868 ene_m = Spe_VNLE[1][wakg][l1-1]; in dHNL()
5895 ene_p = Spe_VNLE[0][wakg][l1-1]; in dHNL()
5896 ene_m = Spe_VNLE[1][wakg][l1-1]; in dHNL()
6014 ene = Spe_VNLE[0][wakg][l1-1]; in dHNL()
6073 ene_p = Spe_VNLE[0][wakg][l1-1]; in dHNL()
6264 ene = Spe_VNLE[0][wakg][l1-1]; in dHNL()
6330 ene_p = Spe_VNLE[0][wakg][l1-1]; in dHNL()
6331 ene_m = Spe_VNLE[1][wakg][l1-1]; in dHNL()
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H A DStress.c6644 ene = Spe_VNLE[0][wakg][l1-1]; in dHNL()
6729 ene_p = Spe_VNLE[0][wakg][l1-1]; in dHNL()
6730 ene_m = Spe_VNLE[1][wakg][l1-1]; in dHNL()
6759 ene_p = Spe_VNLE[0][wakg][l1-1]; in dHNL()
6760 ene_m = Spe_VNLE[1][wakg][l1-1]; in dHNL()
6992 ene = Spe_VNLE[0][wakg][l1-1]; in dHNL()
7080 ene_p = Spe_VNLE[0][wakg][l1-1]; in dHNL()
7366 ene = Spe_VNLE[0][wakg][l1-1]; in dHNL()
7432 ene_p = Spe_VNLE[0][wakg][l1-1]; in dHNL()
7433 ene_m = Spe_VNLE[1][wakg][l1-1]; in dHNL()
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H A DFree_Arrays.c2758 free(Spe_VNLE[so][i]); in array0()
2760 free(Spe_VNLE[so]); in array0()
2762 free(Spe_VNLE); in array0()
H A Dopenmx_common.h853 double ***Spe_VNLE; variable