ommp_qm_helper_vdw_geomgrad Subroutine

public subroutine ommp_qm_helper_vdw_geomgrad(qm, s, qmg, mmg)

Uses

  • proc~~ommp_qm_helper_vdw_geomgrad~~UsesGraph proc~ommp_qm_helper_vdw_geomgrad ommp_qm_helper_vdw_geomgrad module~mod_qm_helper mod_qm_helper proc~ommp_qm_helper_vdw_geomgrad->module~mod_qm_helper module~mod_topology mod_topology module~mod_qm_helper->module~mod_topology module~mod_mmpol mod_mmpol module~mod_qm_helper->module~mod_mmpol module~mod_memory mod_memory module~mod_qm_helper->module~mod_memory module~mod_nonbonded mod_nonbonded module~mod_qm_helper->module~mod_nonbonded module~mod_topology->module~mod_memory module~mod_adjacency_mat mod_adjacency_mat module~mod_topology->module~mod_adjacency_mat module~mod_mmpol->module~mod_topology module~mod_mmpol->module~mod_memory module~mod_mmpol->module~mod_nonbonded module~mod_mmpol->module~mod_adjacency_mat module~mod_constants mod_constants module~mod_mmpol->module~mod_constants module~mod_io mod_io module~mod_mmpol->module~mod_io module~mod_link_atom mod_link_atom module~mod_mmpol->module~mod_link_atom module~mod_bonded mod_bonded module~mod_mmpol->module~mod_bonded module~mod_electrostatics mod_electrostatics module~mod_mmpol->module~mod_electrostatics module~mod_memory->module~mod_constants module~mod_memory->module~mod_io iso_c_binding iso_c_binding module~mod_memory->iso_c_binding module~mod_nonbonded->module~mod_topology module~mod_nonbonded->module~mod_memory module~mod_nonbonded->module~mod_adjacency_mat module~mod_nonbonded->module~mod_constants module~mod_neighbor_list mod_neighbor_list module~mod_nonbonded->module~mod_neighbor_list module~mod_adjacency_mat->module~mod_memory module~mod_constants->iso_c_binding module~mod_io->module~mod_constants module~mod_link_atom->module~mod_topology module~mod_link_atom->module~mod_memory module~mod_link_atom->module~mod_nonbonded module~mod_link_atom->module~mod_constants module~mod_link_atom->module~mod_io module~mod_link_atom->module~mod_bonded module~mod_utils mod_utils module~mod_link_atom->module~mod_utils module~mod_bonded->module~mod_topology module~mod_bonded->module~mod_memory module~mod_bonded->module~mod_io module~mod_electrostatics->module~mod_topology module~mod_electrostatics->module~mod_memory module~mod_electrostatics->module~mod_adjacency_mat module~mod_electrostatics->module~mod_constants module~mod_electrostatics->module~mod_io module~fmmlib_interface fmmlib_interface module~mod_electrostatics->module~fmmlib_interface module~mod_profiling mod_profiling module~mod_electrostatics->module~mod_profiling module~mod_neighbor_list->module~mod_memory module~mod_neighbor_list->module~mod_adjacency_mat module~mod_neighbor_list->module~mod_io module~mod_utils->module~mod_memory module~mod_utils->module~mod_constants module~fmmlib_interface->module~mod_constants module~mod_tree mod_tree module~fmmlib_interface->module~mod_tree module~mod_ribtree mod_ribtree module~fmmlib_interface->module~mod_ribtree module~mod_harmonics mod_harmonics module~fmmlib_interface->module~mod_harmonics module~mod_fmm_utils mod_fmm_utils module~fmmlib_interface->module~mod_fmm_utils module~mod_fmm mod_fmm module~fmmlib_interface->module~mod_fmm module~mod_octatree mod_octatree module~fmmlib_interface->module~mod_octatree module~mod_profiling->module~mod_memory module~mod_profiling->module~mod_constants module~mod_profiling->module~mod_io module~mod_tree->module~mod_adjacency_mat module~mod_tree->module~mod_constants module~mod_tree->module~mod_fmm_utils module~mod_ribtree->module~mod_constants module~mod_ribtree->module~mod_profiling module~mod_ribtree->module~mod_tree module~mod_ribtree->module~mod_fmm_utils module~mod_harmonics->module~mod_constants module~mod_harmonics->module~mod_fmm_utils module~mod_fmm_utils->module~mod_constants module~mod_fmm->module~mod_constants module~mod_fmm->module~mod_tree module~mod_fmm->module~mod_harmonics module~mod_fmm->module~mod_fmm_utils module~mod_octatree->module~mod_constants module~mod_octatree->module~mod_profiling module~mod_octatree->module~mod_tree module~mod_octatree->module~mod_fmm_utils

Arguments

Type IntentOptional Attributes Name
type(ommp_qm_helper), intent(in) :: qm
type(ommp_system), intent(inout) :: s
real(kind=ommp_real), intent(out) :: qmg(:,:)
real(kind=ommp_real), intent(out) :: mmg(:,:)

Calls

proc~~ommp_qm_helper_vdw_geomgrad~~CallsGraph proc~ommp_qm_helper_vdw_geomgrad 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~get_rij0_inter get_Rij0_inter proc~vdw_geomgrad_inter->proc~get_rij0_inter proc~rij_jacobian Rij_jacobian proc~vdw_geomgrad_inter->proc~rij_jacobian 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~get_rij0_inter proc~vdw_geomgrad_inter_restricted->proc~rij_jacobian 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

Called by

proc~~ommp_qm_helper_vdw_geomgrad~~CalledByGraph proc~ommp_qm_helper_vdw_geomgrad ommp_qm_helper_vdw_geomgrad 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

Contents