Searched refs:ResidualH2 (Results 1 – 4 of 4) sorted by relevance
129 ResidualH2[m][0][Mc_AN][h_AN][i][j] = ResidualH2[m-1][0][Mc_AN][h_AN][i][j]; in Pulay_Mixing_H_MultiSecant()130 ResidualH2[m][1][Mc_AN][h_AN][i][j] = ResidualH2[m-1][1][Mc_AN][h_AN][i][j]; in Pulay_Mixing_H_MultiSecant()131 ResidualH2[m][2][Mc_AN][h_AN][i][j] = ResidualH2[m-1][2][Mc_AN][h_AN][i][j]; in Pulay_Mixing_H_MultiSecant()1039 ResidualH2[m][0][Mc_AN][h_AN][i][j] = ResidualH2[m-1][0][Mc_AN][h_AN][i][j]; in Pulay_Mixing_H_with_One_Shot_Hessian()1040 ResidualH2[m][1][Mc_AN][h_AN][i][j] = ResidualH2[m-1][1][Mc_AN][h_AN][i][j]; in Pulay_Mixing_H_with_One_Shot_Hessian()1041 ResidualH2[m][2][Mc_AN][h_AN][i][j] = ResidualH2[m-1][2][Mc_AN][h_AN][i][j]; in Pulay_Mixing_H_with_One_Shot_Hessian()1815 ResidualH2[m][0][Mc_AN][h_AN][i][j] = ResidualH2[m-1][0][Mc_AN][h_AN][i][j]; in Pulay_Mixing_H()1816 ResidualH2[m][1][Mc_AN][h_AN][i][j] = ResidualH2[m-1][1][Mc_AN][h_AN][i][j]; in Pulay_Mixing_H()2377 ResidualH2[m][0][Mc_AN][h_AN][i][j] = ResidualH2[m-1][0][Mc_AN][h_AN][i][j]; in Simple_Mixing_H()2378 ResidualH2[m][1][Mc_AN][h_AN][i][j] = ResidualH2[m-1][1][Mc_AN][h_AN][i][j]; in Simple_Mixing_H()[all …]
954 free(ResidualH2[m][k][Mc_AN][h_AN][i]); in array0()956 free(ResidualH2[m][k][Mc_AN][h_AN]); in array0()958 free(ResidualH2[m][k][Mc_AN]); in array0()960 free(ResidualH2[m][k]); in array0()962 free(ResidualH2[m]); in array0()964 free(ResidualH2); in array0()
1345 ResidualH2 = (double******)malloc(sizeof(double*****)*List_YOUSO[39]); in truncation()1348 ResidualH2[m] = (double*****)malloc(sizeof(double****)*SpinP_switch); in truncation()1350 ResidualH2[m][k] = (double****)malloc(sizeof(double***)*(Matomnum+1)); in truncation()1378 ResidualH2[m][k][Mc_AN][h_AN][i] = (double*)malloc(sizeof(double)*tno1); in truncation()1379 for (j=0; j<tno1; j++) ResidualH2[m][k][Mc_AN][h_AN][i][j] = 0.0; in truncation()5998 free(ResidualH2[m][k][Mc_AN][h_AN][i]); in free_arrays_truncation0()6000 free(ResidualH2[m][k][Mc_AN][h_AN]); in free_arrays_truncation0()6002 free(ResidualH2[m][k][Mc_AN]); in free_arrays_truncation0()6004 free(ResidualH2[m][k]); in free_arrays_truncation0()6006 free(ResidualH2[m]); in free_arrays_truncation0()[all …]
1351 double ******ResidualH2; variable