Searched refs:n1_CN_DFT_D (Results 1 – 3 of 3) sorted by relevance
33611 n1_CN_DFT_D=(int)ceil(n[1]); in DFTD3vdW_init()33615 if (DFTD_IntDir1==0) n1_CN_DFT_D = 0; in DFTD3vdW_init()33702 printf("<DFTD3vdW_init> n1_CN=%2d n2_CN=%2d n3_CN=%2d\n",n1_CN_DFT_D,n2_CN_DFT_D,n3_CN_DFT_D); in DFTD3vdW_init()
3490 n1_max = n1_CN_DFT_D; in Calc_EdftD3()3544 n1_max = n1_CN_DFT_D; in Calc_EdftD3()3567 …dCN[Gc_AN][Gc_BN][n1+n1_CN_DFT_D][n2+n2_CN_DFT_D][n3+n3_CN_DFT_D]=-fdamp*fdamp*expval*k1_dftD*rcov… in Calc_EdftD3()3570 dCN[Gc_AN][Gc_BN][n1+n1_CN_DFT_D][n2+n2_CN_DFT_D][n3+n3_CN_DFT_D]=0.0; in Calc_EdftD3()3600 n1_max = n1_CN_DFT_D; in Calc_EdftD3()3607 …MPI_Bcast(&dCN[Gc_AN][Gc_BN][n1+n1_CN_DFT_D][n2+n2_CN_DFT_D][n3+n3_CN_DFT_D], 1, MPI_DOUBLE, ID, m… in Calc_EdftD3()3833 n1_max = n1_CN_DFT_D; in Calc_EdftD3()3855 …dEC+=dEC0[Gc_AN][Gc_CN]*dC6ij[Gc_AN][Gc_CN]*dCN[Gc_AN][Gc_BN][n1+n1_CN_DFT_D][n2+n2_CN_DFT_D][n3+n… in Calc_EdftD3()3856 …dEC+=dEC0[Gc_BN][Gc_CN]*dC6ij[Gc_BN][Gc_CN]*dCN[Gc_AN][Gc_BN][n1+n1_CN_DFT_D][n2+n2_CN_DFT_D][n3+n… in Calc_EdftD3()3896 for (n1=0; n1<=2*n1_CN_DFT_D; n1++){ in Calc_EdftD3()
3931 int n1_CN_DFT_D,n2_CN_DFT_D,n3_CN_DFT_D; /* for cncut PBC */ variable