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Searched refs:DS_NL (Results 1 – 8 of 8) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DSet_Nonlocal.c47 Nonlocal0(HNL, DS_NL); in Set_Nonlocal()
1379 -tmp2*DS_NL[0][0][Mc_AN][k][m][L ]*DS_NL[0][0][Mj_AN][kl][n][L+3] in Multiply_DS_NL()
1380 +tmp2*DS_NL[0][0][Mc_AN][k][m][L+3]*DS_NL[0][0][Mj_AN][kl][n][L ] in Multiply_DS_NL()
1381 +tmp1*DS_NL[0][0][Mc_AN][k][m][L+1]*DS_NL[0][0][Mj_AN][kl][n][L+3] in Multiply_DS_NL()
1382 -tmp1*DS_NL[0][0][Mc_AN][k][m][L+3]*DS_NL[0][0][Mj_AN][kl][n][L+1] in Multiply_DS_NL()
1383 +tmp1*DS_NL[0][0][Mc_AN][k][m][L+2]*DS_NL[0][0][Mj_AN][kl][n][L+4] in Multiply_DS_NL()
1389 tmp2*DS_NL[0][0][Mc_AN][k][m][L ]*DS_NL[0][0][Mj_AN][kl][n][L+4] in Multiply_DS_NL()
1390 -tmp2*DS_NL[0][0][Mc_AN][k][m][L+4]*DS_NL[0][0][Mj_AN][kl][n][L ] in Multiply_DS_NL()
1391 +tmp1*DS_NL[0][0][Mc_AN][k][m][L+1]*DS_NL[0][0][Mj_AN][kl][n][L+4] in Multiply_DS_NL()
1392 -tmp1*DS_NL[0][0][Mc_AN][k][m][L+4]*DS_NL[0][0][Mj_AN][kl][n][L+1] in Multiply_DS_NL()
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H A DForce_HNL.c79 Cont_Matrix1(DS_NL[so][0],CntDS_NL[so][0]); in Force_HNL()
80 Cont_Matrix1(DS_NL[so][1],CntDS_NL[so][1]); in Force_HNL()
81 Cont_Matrix1(DS_NL[so][2],CntDS_NL[so][2]); in Force_HNL()
82 Cont_Matrix1(DS_NL[so][3],CntDS_NL[so][3]); in Force_HNL()
211 tmp_array[num] = DS_NL[so][0][Mc_AN][h_AN][i][j]; in Force_HNL()
248 DS_NL[so][0][Matomnum+1][h_AN][i][j] = tmp_array2[num]; in Force_HNL()
303 dHNL(0,Mc_AN,h_AN,q_AN,DS_NL,HNLx,HNLy,HNLz); in Force_HNL()
H A Dopenmx_common.h1398 double ******DS_NL; variable
2807 double ******DS_NL,
2812 double ******DS_NL,
2817 double Set_Nonlocal(double *****HNL, double ******DS_NL);
H A DFree_Arrays.c740 free(DS_NL[so][k][Mc_AN][h_AN][i]); in array0()
742 free(DS_NL[so][k][Mc_AN][h_AN]); in array0()
744 free(DS_NL[so][k][Mc_AN]); in array0()
746 free(DS_NL[so][k]); in array0()
748 free(DS_NL[so]); in array0()
750 free(DS_NL); in array0()
H A Dtruncation.c1093 DS_NL = (double******)malloc(sizeof(double*****)*(SO_switch+1)); in truncation()
1095 DS_NL[so] = (double*****)malloc(sizeof(double****)*4); in truncation()
1097 DS_NL[so][k] = (double****)malloc(sizeof(double***)*(Matomnum+2)); in truncation()
1117 DS_NL[so][k][Mc_AN] = (double***)malloc(sizeof(double**)*(fan+1)); in truncation()
1132 DS_NL[so][k][Mc_AN][h_AN] = (double**)malloc(sizeof(double*)*tno0); in truncation()
5771 free(DS_NL[so][k][Mc_AN][h_AN][i]); in free_arrays_truncation0()
5773 free(DS_NL[so][k][Mc_AN][h_AN]); in free_arrays_truncation0()
5775 free(DS_NL[so][k][Mc_AN]); in free_arrays_truncation0()
5777 free(DS_NL[so][k]); in free_arrays_truncation0()
5779 free(DS_NL[so]); in free_arrays_truncation0()
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H A DForce.c81 double ******DS_NL, in Force() argument
3174 Cont_Matrix1(DS_NL[so][0],CntDS_NL[so][0]); in Force_HNL()
3175 Cont_Matrix1(DS_NL[so][1],CntDS_NL[so][1]); in Force_HNL()
3176 Cont_Matrix1(DS_NL[so][2],CntDS_NL[so][2]); in Force_HNL()
3177 Cont_Matrix1(DS_NL[so][3],CntDS_NL[so][3]); in Force_HNL()
3342 tmp_array[num] = DS_NL[so][0][Mc_AN][h_AN][i][j]; in Force_HNL()
3433 dHNL(0,Mc_AN,h_AN,q_AN,DS_NL,Hx0,Hy0,Hz0); in Force_HNL()
3544 dHNL(0,Mc_AN,q_AN,h_AN,DS_NL,Hx1,Hy1,Hz1); in Force_HNL()
3792 dHNL(0,Mc_AN,h_AN,q_AN,DS_NL,Hx0,Hy0,Hz0); in Force_HNL()
4153 tmp_array[num] = DS_NL[so][kk][Sc_AN][Sh_AN][i][j]; in Force_HNL()
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H A DDFT.c819 time2 = Set_Nonlocal(HNL,DS_NL); in DFT()
2377 if (!orbitalOpt_Force_Skip) time7 += Force(H0,DS_NL,OLP,DM[0],EDM); in DFT()
2380 Stress(H0,DS_NL,OLP,DM[0],EDM); in DFT()
H A DStress.c90 double ******DS_NL, in Stress() argument
4700 Cont_Matrix1(DS_NL[so][0],CntDS_NL[so][0]); in Stress_HNL()
4701 Cont_Matrix1(DS_NL[so][1],CntDS_NL[so][1]); in Stress_HNL()
4702 Cont_Matrix1(DS_NL[so][2],CntDS_NL[so][2]); in Stress_HNL()
4703 Cont_Matrix1(DS_NL[so][3],CntDS_NL[so][3]); in Stress_HNL()
4886 tmp_array[num] = DS_NL[so][0][Mc_AN][h_AN][i][j]; in Stress_HNL()
4923 DS_NL[so][0][Matomnum+1][h_AN][i][j] = tmp_array2[num]; in Stress_HNL()
4977 dHNL(0,Mc_AN,h_AN,q_AN,DS_NL,Hx0,Hy0,Hz0,H_sts); in Stress_HNL()
5163 dHNL(0,Mc_AN,q_AN,h_AN,DS_NL,Hx1,Hy1,Hz1,H_sts); in Stress_HNL()
5465 dHNL(0,Mc_AN,h_AN,q_AN,DS_NL,Hx0,Hy0,Hz0,H_sts); in Stress_HNL()
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