Searched refs:ix_jy (Results 1 – 1 of 1) sorted by relevance
| /dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/ |
| H A D | CASPT2.cpp | 3400 …const double ix_jy = integrals->get_coulomb( irrep_ij, irrep_xy, irrep_ij, irrep_xy, i, occ_xy + x… in construct_rhs() local
3402 … workspace[ jump_xy + x + (y*(y+1))/2 ] = ( ix_jy + iy_jx ) * (( x==y ) ? 0.5 : 1.0 ); in construct_rhs()
3443 …const double ix_jy = integrals->get_coulomb( irrep_ij, irrep_xy, irrep_ij, irrep_xy, i, occ_xy + x… in construct_rhs() local
3445 workspace[ jump_xy + x + (y*(y-1))/2 ] = ix_jy - iy_jx; in construct_rhs()
3493 …const double ix_jy = integrals->get_coulomb( irrep_i, irrep_x, irrep_j, irrep_y, i, occ_x + x, j, … in construct_rhs() local
3495 workspace[ jump_xy + x + num_x * y ] = ix_jy + iy_jx; in construct_rhs()
3523 …const double ix_jy = integrals->get_coulomb( irrep_i, irrep_x, irrep_j, irrep_y, i, occ_x + x, j, … in construct_rhs() local
3525 workspace[ jump_xy + x + num_x * y ] = ix_jy - iy_jx; in construct_rhs()
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