Searched refs:DecEdee (Results 1 – 5 of 5) sorted by relevance
78 tmp_array0[num] = 2.0*DecEdee[0][Mc_AN][i]; num++; in Output_Energy_Decomposition()96 tmp_array0[num] = DecEdee[0][Mc_AN][i] + DecEdee[1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
1939 free(DecEdee[spin][Mc_AN]); in array0()1941 free(DecEdee[spin]); in array0()1943 free(DecEdee); in array0()
2706 DecEdee = (double***)malloc(sizeof(double**)*2); in truncation()2708 DecEdee[spin] = (double**)malloc(sizeof(double*)*(Matomnum+1)); in truncation()2710 DecEdee[spin][Mc_AN] = (double*)malloc(sizeof(double)*List_YOUSO[7]); in truncation()2711 for (i=0; i<List_YOUSO[7]; i++) DecEdee[spin][Mc_AN][i] = 0.0; in truncation()6995 free(DecEdee[spin][Mc_AN]); in free_arrays_truncation0()6997 free(DecEdee[spin]); in free_arrays_truncation0()6999 free(DecEdee); in free_arrays_truncation0()
2291 double ***DecEdee; variable
2221 DecEdee[spin][Mc_AN][i] = 0.0; in Calc_EXC_EH1()2229 DecEdee[spin][Mc_AN][i] += DM[0][spin][Mc_AN][h_AN][i][j]*H[0][Mc_AN][h_AN][i][j]; in Calc_EXC_EH1()2272 DecEdee[spin][Mc_AN][i] -= sum; in Calc_EXC_EH1()