ommptest_qm_helper_vdw_geomgrad Subroutine

public subroutine ommptest_qm_helper_vdw_geomgrad(sys, qmh, fakeqm, gmm, gqm)

Arguments

Type IntentOptional Attributes Name
type(ommp_system), intent(inout), target :: sys
type(ommp_qm_helper), intent(inout), target :: qmh
type(ommp_system), intent(inout), target :: fakeqm
real(kind=ommp_real), intent(out) :: gmm(3,sys%top%mm_atoms)
real(kind=ommp_real), intent(out) :: gqm(3,qmh%qm_top%mm_atoms)

Calls

proc~~ommptest_qm_helper_vdw_geomgrad~~CallsGraph proc~ommptest_qm_helper_vdw_geomgrad ommptest_qm_helper_vdw_geomgrad proc~ommp_qm_helper_vdw_geomgrad ommp_qm_helper_vdw_geomgrad proc~ommptest_qm_helper_vdw_geomgrad->proc~ommp_qm_helper_vdw_geomgrad proc~qm_helper_vdw_geomgrad qm_helper_vdw_geomgrad proc~ommp_qm_helper_vdw_geomgrad->proc~qm_helper_vdw_geomgrad proc~vdw_geomgrad_inter vdw_geomgrad_inter proc~qm_helper_vdw_geomgrad->proc~vdw_geomgrad_inter proc~link_atom_update_merged_topology link_atom_update_merged_topology proc~qm_helper_vdw_geomgrad->proc~link_atom_update_merged_topology proc~vdw_geomgrad_inter_restricted vdw_geomgrad_inter_restricted proc~qm_helper_vdw_geomgrad->proc~vdw_geomgrad_inter_restricted proc~fatal_error fatal_error proc~vdw_geomgrad_inter->proc~fatal_error proc~rij_jacobian Rij_jacobian proc~vdw_geomgrad_inter->proc~rij_jacobian proc~get_rij0_inter get_Rij0_inter proc~vdw_geomgrad_inter->proc~get_rij0_inter proc~get_eij_inter get_eij_inter proc~vdw_geomgrad_inter->proc~get_eij_inter proc~vdw_geomgrad_inter_restricted->proc~fatal_error proc~vdw_geomgrad_inter_restricted->proc~rij_jacobian proc~vdw_geomgrad_inter_restricted->proc~get_rij0_inter proc~vdw_geomgrad_inter_restricted->proc~get_eij_inter proc~ommp_message ommp_message proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~close_output->proc~ommp_message

Contents