Searched refs:r0ab_dftD (Results 1 – 4 of 4) sorted by relevance
33482 r0ab_dftD=(double**)malloc(sizeof(double*)*SpeciesNum); in DFTD3vdW_init()33484 r0ab_dftD[iat]=(double*)malloc(sizeof(double)*SpeciesNum); in DFTD3vdW_init()33548 r0ab_dftD[i][j] = r0ab[iZ][jZ]; in DFTD3vdW_init()33684 …3vdW_init> %s %s species r0ab=%f\n", Atom_Symbol[iat], Atom_Symbol[jat],r0ab_dftD[i][j]);fflush(st… in DFTD3vdW_init()
3926 double **r0ab_dftD; /* parameters used in calculating zero damping function*/ variable
2209 free(r0ab_dftD[i]); in array0()2211 free(r0ab_dftD); in array0()
3721 powarg = dist/(sr6_dftD*r0ab_dftD[wanB][wanA]); in Calc_EdftD3()3728 powarg = dist/(sr8_dftD*r0ab_dftD[wanB][wanA]); in Calc_EdftD3()