Searched refs:rijrx (Results 1 – 6 of 6) sorted by relevance
75 double rijrx[3]; in CINTg0_2e_coulerf() local77 rijrx[0] = envs->rij[0] - envs->rx_in_rijrx[0]; in CINTg0_2e_coulerf()78 rijrx[1] = envs->rij[1] - envs->rx_in_rijrx[1]; in CINTg0_2e_coulerf()79 rijrx[2] = envs->rij[2] - envs->rx_in_rijrx[2]; in CINTg0_2e_coulerf()101 c00[0] = rijrx[0] - tmp2 * rijrkl[0]; in CINTg0_2e_coulerf()102 c00[1] = rijrx[1] - tmp2 * rijrkl[1]; in CINTg0_2e_coulerf()103 c00[2] = rijrx[2] - tmp2 * rijrkl[2]; in CINTg0_2e_coulerf()
215 double rijrx[3]; in CINTg0_2e_yp() local217 rijrx[0] = envs->rij[0] - envs->rx_in_rijrx[0]; in CINTg0_2e_yp()218 rijrx[1] = envs->rij[1] - envs->rx_in_rijrx[1]; in CINTg0_2e_yp()219 rijrx[2] = envs->rij[2] - envs->rx_in_rijrx[2]; in CINTg0_2e_yp()242 c00[0] = rijrx[0] - tmp2 * rijrkl[0]; in CINTg0_2e_yp()243 c00[1] = rijrx[1] - tmp2 * rijrkl[1]; in CINTg0_2e_yp()244 c00[2] = rijrx[2] - tmp2 * rijrkl[2]; in CINTg0_2e_yp()311 double rijrx[3]; in CINTg0_2e_stg() local338 c00[0] = rijrx[0] - tmp2 * rijrkl[0]; in CINTg0_2e_stg()339 c00[1] = rijrx[1] - tmp2 * rijrkl[1]; in CINTg0_2e_stg()[all …]
197 double rijrx[3]; in CINTg0_2e_gtg() local199 rijrx[0] = envs->rij[0] - envs->rx_in_rijrx[0]; in CINTg0_2e_gtg()200 rijrx[1] = envs->rij[1] - envs->rx_in_rijrx[1]; in CINTg0_2e_gtg()201 rijrx[2] = envs->rij[2] - envs->rx_in_rijrx[2]; in CINTg0_2e_gtg()220 c00[0] = rijrx[0] - tmp2 * rijrkl[0]; in CINTg0_2e_gtg()221 c00[1] = rijrx[1] - tmp2 * rijrkl[1]; in CINTg0_2e_gtg()222 c00[2] = rijrx[2] - tmp2 * rijrkl[2]; in CINTg0_2e_gtg()
158 double rijrx[3]; in CINTg1e_ovlp() local159 rijrx[0] = rij[0] - rx[0]; in CINTg1e_ovlp()160 rijrx[1] = rij[1] - rx[1]; in CINTg1e_ovlp()161 rijrx[2] = rij[2] - rx[2]; in CINTg1e_ovlp()163 gx[di] = rijrx[0] * gx[0]; in CINTg1e_ovlp()164 gy[di] = rijrx[1] * gy[0]; in CINTg1e_ovlp()165 gz[di] = rijrx[2] * gz[0]; in CINTg1e_ovlp()169 gx[(i+1)*di] = i * aij2 * gx[(i-1)*di] + rijrx[0] * gx[i*di]; in CINTg1e_ovlp()170 gy[(i+1)*di] = i * aij2 * gy[(i-1)*di] + rijrx[1] * gy[i*di]; in CINTg1e_ovlp()269 double rijrx = rij[0] - rx[0]; in CINTg1e_nuc() local[all …]
174 double rijrx[3]; in CINTg0_1e_grids() local175 rijrx[0] = rij[0] - rx[0]; in CINTg0_1e_grids()176 rijrx[1] = rij[1] - rx[1]; in CINTg0_1e_grids()177 rijrx[2] = rij[2] - rx[2]; in CINTg0_1e_grids()199 rirgx[ig] = rijrx[0] + u[ig+GRID_BLKSIZE*n] * rijrg[ig+GRID_BLKSIZE*0]; in CINTg0_1e_grids()200 rirgy[ig] = rijrx[1] + u[ig+GRID_BLKSIZE*n] * rijrg[ig+GRID_BLKSIZE*1]; in CINTg0_1e_grids()201 rirgz[ig] = rijrx[2] + u[ig+GRID_BLKSIZE*n] * rijrg[ig+GRID_BLKSIZE*2]; in CINTg0_1e_grids()
1782 double rijrx[3]; in CINTg0_2e() local1784 rijrx[0] = envs->rij[0] - envs->rx_in_rijrx[0]; in CINTg0_2e()1785 rijrx[1] = envs->rij[1] - envs->rx_in_rijrx[1]; in CINTg0_2e()1786 rijrx[2] = envs->rij[2] - envs->rx_in_rijrx[2]; in CINTg0_2e()1812 c00[0] = rijrx[0] - tmp2 * rijrkl[0]; in CINTg0_2e()1813 c00[1] = rijrx[1] - tmp2 * rijrkl[1]; in CINTg0_2e()1814 c00[2] = rijrx[2] - tmp2 * rijrkl[2]; in CINTg0_2e()