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Searched refs:DecEhub (Results 1 – 5 of 5) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DOutput_Energy_Decomposition.c82 tmp_array0[num] = 2.0*DecEhub[0][Mc_AN][i]; num++; in Output_Energy_Decomposition()
100 tmp_array0[num] = DecEhub[0][Mc_AN][i] + DecEhub[1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
H A DTotal_Energy.c3127 DecEhub[spin][Mc_AN][cnt1] = tmpv; in Calc_Ehub()
3165 DecEhub[spin][Mc_AN][cnt1] += sum; in Calc_Ehub()
3195 DecEhub[0][Mc_AN][cnt1] = 0.5*tmpv; in Calc_Ehub()
3196 DecEhub[1][Mc_AN][cnt1] = 0.5*tmpv; in Calc_Ehub()
3256 DecEhub[0][Mc_AN][cnt1] += 0.5*sum; in Calc_Ehub()
3257 DecEhub[1][Mc_AN][cnt1] += 0.5*sum; in Calc_Ehub()
H A DFree_Arrays.c1975 free(DecEhub[spin][Mc_AN]); in array0()
1977 free(DecEhub[spin]); in array0()
1979 free(DecEhub); in array0()
H A Dtruncation.c2746 DecEhub = (double***)malloc(sizeof(double**)*2); in truncation()
2748 DecEhub[spin] = (double**)malloc(sizeof(double*)*(Matomnum+1)); in truncation()
2750 DecEhub[spin][Mc_AN] = (double*)malloc(sizeof(double)*List_YOUSO[7]); in truncation()
2751 for (i=0; i<List_YOUSO[7]; i++) DecEhub[spin][Mc_AN][i] = 0.0; in truncation()
7031 free(DecEhub[spin][Mc_AN]); in free_arrays_truncation0()
7033 free(DecEhub[spin]); in free_arrays_truncation0()
7035 free(DecEhub); in free_arrays_truncation0()
H A Dopenmx_common.h2331 double ***DecEhub; variable