Searched refs:NAO_ene_level (Results 1 – 2 of 2) sorted by relevance
1570 NAO_ene_level = (double**)malloc(sizeof(double*)*Num_NBO_FSCenter); in Krylov_Col_NAO()1572 NAO_ene_level[i] = (double*)malloc(sizeof(double)*(NBO_SVsize_max+1)); in Krylov_Col_NAO()1574 NAO_ene_level[i][j] = 0.0; in Krylov_Col_NAO()1873 NAO_vec_tmp1[counter] = NAO_ene_level[i][j]; in Krylov_Col_NAO()1889 NAO_ene_level[i][j] = NAO_vec_tmp2[counter]; in Krylov_Col_NAO()2043 printf("%9.5f %9.5f\n",NAO_ene_level[i][k],NAO_partial_pop[i][k]); in Krylov_Col_NAO()2151 printf("%8.4f",NAO_ene_level[i][j]); in Krylov_Col_NAO()2186 free(NAO_ene_level[i]); in Krylov_Col_NAO()2188 free(NAO_ene_level); in Krylov_Col_NAO()8285 NAO_ene_level[FS_atm][i] = temp_M3[i][i]; in Calc_NAO()
2859 double **NAO_partial_pop, **NAO_ene_level, ***NAO_coefficient; variable