comp_lz_int1_prim Subroutine

public subroutine comp_lz_int1_prim(cp, id, zblk)

@brief Compute primitive block of 1e Coulomb ESP integrals in FMO method @param[in] cp shell pair data @param[in] id current pair of primitives @param[inout] zblk block of 1e Lz-integrals @author Vladimir Mironov @date Sep, 2018 Initial release

Arguments

Type IntentOptional Attributes Name
type(shpair_t), intent(in) :: cp
integer, intent(in) :: id
real(kind=REAL64), intent(inout), CONTIGUOUS :: zblk(:)

Calls

proc~~comp_lz_int1_prim~~CallsGraph proc~comp_lz_int1_prim comp_lz_int1_prim proc~doquadgausshermite doQuadGaussHermite proc~comp_lz_int1_prim->proc~doquadgausshermite abrt abrt proc~doquadgausshermite->abrt

Called by

proc~~comp_lz_int1_prim~~CalledByGraph proc~comp_lz_int1_prim comp_lz_int1_prim proc~omp_hst omp_hst proc~omp_hst->proc~comp_lz_int1_prim proc~int1e int1e proc~int1e->proc~omp_hst