get_eij_inter Function

private pure function get_eij_inter(vdw1, vdw2, i, j) result(eij)

Uses

  • proc~~get_eij_inter~~UsesGraph proc~get_eij_inter get_eij_inter module~mod_constants mod_constants proc~get_eij_inter->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) :: vdw1

Nonbonded data structure
type(ommp_nonbonded_type), intent(in) :: vdw2

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_inter~~CalledByGraph proc~get_eij_inter get_eij_inter proc~vdw_potential_inter vdw_potential_inter proc~vdw_potential_inter->proc~get_eij_inter proc~vdw_geomgrad_inter vdw_geomgrad_inter proc~vdw_geomgrad_inter->proc~get_eij_inter proc~vdw_potential_inter_restricted vdw_potential_inter_restricted proc~vdw_potential_inter_restricted->proc~get_eij_inter proc~vdw_geomgrad_inter_restricted vdw_geomgrad_inter_restricted proc~vdw_geomgrad_inter_restricted->proc~get_eij_inter proc~qm_helper_vdw_energy qm_helper_vdw_energy proc~qm_helper_vdw_energy->proc~vdw_potential_inter proc~qm_helper_vdw_energy->proc~vdw_potential_inter_restricted proc~qm_helper_vdw_geomgrad qm_helper_vdw_geomgrad proc~qm_helper_vdw_geomgrad->proc~vdw_geomgrad_inter proc~qm_helper_vdw_geomgrad->proc~vdw_geomgrad_inter_restricted proc~ommp_qm_helper_vdw_energy ommp_qm_helper_vdw_energy proc~ommp_qm_helper_vdw_energy->proc~qm_helper_vdw_energy proc~ommp_qm_helper_vdw_geomgrad ommp_qm_helper_vdw_geomgrad proc~ommp_qm_helper_vdw_geomgrad->proc~qm_helper_vdw_geomgrad proc~c_ommp_qm_helper_vdw_energy C_ommp_qm_helper_vdw_energy proc~c_ommp_qm_helper_vdw_energy->proc~ommp_qm_helper_vdw_energy program~test_si_potential test_SI_potential program~test_si_potential->proc~ommp_qm_helper_vdw_energy proc~c_ommp_qm_helper_vdw_geomgrad C_ommp_qm_helper_vdw_geomgrad proc~c_ommp_qm_helper_vdw_geomgrad->proc~ommp_qm_helper_vdw_geomgrad proc~ommptest_totalqmmm_geomgrad ommptest_totalqmmm_geomgrad proc~ommptest_totalqmmm_geomgrad->proc~ommp_qm_helper_vdw_geomgrad proc~ommptest_fakeqm_linkatom_geomgrad ommptest_fakeqm_linkatom_geomgrad proc~ommptest_fakeqm_linkatom_geomgrad->proc~ommp_qm_helper_vdw_geomgrad proc~ommptest_qm_helper_vdw_geomgrad ommptest_qm_helper_vdw_geomgrad proc~ommptest_qm_helper_vdw_geomgrad->proc~ommp_qm_helper_vdw_geomgrad

Contents