get_eij Function

private pure function get_eij(vdw, i, j) result(eij)

Uses

  • proc~~get_eij~~UsesGraph proc~get_eij get_eij module~mod_constants mod_constants proc~get_eij->module~mod_constants iso_c_binding iso_c_binding module~mod_constants->iso_c_binding

Arguments

Type IntentOptional Attributes Name
type(ommp_nonbonded_type), intent(in) :: vdw

Nonbonded data structure
integer(kind=ip), intent(in) :: i

Indices of interacting atoms
integer(kind=ip), intent(in) :: j

Indices of interacting atoms

Return Value real(kind=rp)


Called by

proc~~get_eij~~CalledByGraph proc~get_eij get_eij proc~vdw_potential vdw_potential proc~vdw_potential->proc~get_eij proc~vdw_geomgrad vdw_geomgrad proc~vdw_geomgrad->proc~get_eij proc~ommp_get_vdw_energy ommp_get_vdw_energy proc~ommp_get_vdw_energy->proc~vdw_potential proc~ommp_vdw_geomgrad ommp_vdw_geomgrad proc~ommp_vdw_geomgrad->proc~vdw_geomgrad proc~ommp_full_geomgrad ommp_full_geomgrad proc~ommp_full_geomgrad->proc~vdw_geomgrad proc~ommp_get_full_energy ommp_get_full_energy proc~ommp_get_full_energy->proc~ommp_get_vdw_energy proc~c_ommp_vdw_geomgrad C_ommp_vdw_geomgrad proc~c_ommp_vdw_geomgrad->proc~ommp_vdw_geomgrad proc~c_ommp_get_vdw_energy C_ommp_get_vdw_energy proc~c_ommp_get_vdw_energy->proc~ommp_get_vdw_energy proc~c_ommp_full_geomgrad C_ommp_full_geomgrad proc~c_ommp_full_geomgrad->proc~ommp_full_geomgrad proc~c_ommp_get_full_energy C_ommp_get_full_energy proc~c_ommp_get_full_energy->proc~ommp_get_full_energy

Contents