ommp_qm_helper_link_atom_geomgrad Subroutine

  1. mod_interface.F90
  2. ommp_interface
  3. ommp_qm_helper_link_atom_geomgrad

public subroutine ommp_qm_helper_link_atom_geomgrad(qm, s, qmg, mmg, old_qmg)

Uses

  • proc~~ommp_qm_helper_link_atom_geomgrad~~UsesGraph proc~ommp_qm_helper_link_atom_geomgrad ommp_qm_helper_link_atom_geomgrad module~mod_qm_helper mod_qm_helper proc~ommp_qm_helper_link_atom_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(:,:)
real(kind=ommp_real), intent(in) :: old_qmg(:,:)

Calls

proc~~ommp_qm_helper_link_atom_geomgrad~~CallsGraph proc~ommp_qm_helper_link_atom_geomgrad ommp_qm_helper_link_atom_geomgrad proc~qm_helper_link_atom_geomgrad qm_helper_link_atom_geomgrad proc~ommp_qm_helper_link_atom_geomgrad->proc~qm_helper_link_atom_geomgrad proc~link_atom_update_merged_topology link_atom_update_merged_topology proc~qm_helper_link_atom_geomgrad->proc~link_atom_update_merged_topology interface~mallocate mallocate proc~qm_helper_link_atom_geomgrad->interface~mallocate proc~link_atom_project_grd link_atom_project_grd proc~qm_helper_link_atom_geomgrad->proc~link_atom_project_grd proc~link_atom_bond_geomgrad link_atom_bond_geomgrad proc~qm_helper_link_atom_geomgrad->proc~link_atom_bond_geomgrad interface~mfree mfree proc~qm_helper_link_atom_geomgrad->interface~mfree proc~link_atom_angle_geomgrad link_atom_angle_geomgrad proc~qm_helper_link_atom_geomgrad->proc~link_atom_angle_geomgrad proc~link_atom_torsion_geomgrad link_atom_torsion_geomgrad proc~qm_helper_link_atom_geomgrad->proc~link_atom_torsion_geomgrad proc~i_alloc1 i_alloc1 interface~mallocate->proc~i_alloc1 proc~i_alloc3 i_alloc3 interface~mallocate->proc~i_alloc3 proc~l_alloc2 l_alloc2 interface~mallocate->proc~l_alloc2 proc~r_alloc1 r_alloc1 interface~mallocate->proc~r_alloc1 proc~r_alloc3 r_alloc3 interface~mallocate->proc~r_alloc3 proc~i_alloc2 i_alloc2 interface~mallocate->proc~i_alloc2 proc~r_alloc2 r_alloc2 interface~mallocate->proc~r_alloc2 proc~l_alloc1 l_alloc1 interface~mallocate->proc~l_alloc1 proc~versor_der versor_der proc~link_atom_project_grd->proc~versor_der proc~link_atom_bond_geomgrad->interface~mallocate proc~link_atom_bond_geomgrad->interface~mfree proc~bond_geomgrad bond_geomgrad proc~link_atom_bond_geomgrad->proc~bond_geomgrad proc~l_free1 l_free1 interface~mfree->proc~l_free1 proc~i_free2 i_free2 interface~mfree->proc~i_free2 proc~r_free3 r_free3 interface~mfree->proc~r_free3 proc~r_free2 r_free2 interface~mfree->proc~r_free2 proc~i_free3 i_free3 interface~mfree->proc~i_free3 proc~i_free1 i_free1 interface~mfree->proc~i_free1 proc~r_free1 r_free1 interface~mfree->proc~r_free1 proc~l_free2 l_free2 interface~mfree->proc~l_free2 proc~link_atom_angle_geomgrad->interface~mallocate proc~link_atom_angle_geomgrad->interface~mfree proc~angle_geomgrad angle_geomgrad proc~link_atom_angle_geomgrad->proc~angle_geomgrad proc~link_atom_torsion_geomgrad->interface~mallocate proc~link_atom_torsion_geomgrad->interface~mfree proc~torsion_geomgrad torsion_geomgrad proc~link_atom_torsion_geomgrad->proc~torsion_geomgrad proc~torsion_angle_jacobian torsion_angle_jacobian proc~torsion_geomgrad->proc~torsion_angle_jacobian proc~chk_free chk_free proc~l_free1->proc~chk_free proc~i_free2->proc~chk_free proc~r_free3->proc~chk_free proc~chk_alloc chk_alloc proc~i_alloc1->proc~chk_alloc proc~memory_init memory_init proc~i_alloc1->proc~memory_init proc~i_alloc3->proc~chk_alloc proc~i_alloc3->proc~memory_init proc~l_alloc2->proc~chk_alloc proc~l_alloc2->proc~memory_init proc~r_free2->proc~chk_free proc~i_free3->proc~chk_free proc~i_free1->proc~chk_free proc~simple_angle_jacobian simple_angle_jacobian proc~angle_geomgrad->proc~simple_angle_jacobian proc~inplane_angle_jacobian inplane_angle_jacobian proc~angle_geomgrad->proc~inplane_angle_jacobian proc~r_free1->proc~chk_free proc~r_alloc1->proc~chk_alloc proc~r_alloc1->proc~memory_init proc~r_alloc3->proc~chk_alloc proc~r_alloc3->proc~memory_init proc~i_alloc2->proc~chk_alloc proc~i_alloc2->proc~memory_init proc~r_alloc2->proc~chk_alloc proc~r_alloc2->proc~memory_init proc~l_alloc1->proc~chk_alloc proc~l_alloc1->proc~memory_init proc~rij_jacobian Rij_jacobian proc~bond_geomgrad->proc~rij_jacobian proc~l_free2->proc~chk_free proc~torsion_angle_jacobian->proc~versor_der proc~cross_product cross_product proc~torsion_angle_jacobian->proc~cross_product proc~vec_skw vec_skw proc~torsion_angle_jacobian->proc~vec_skw proc~fatal_error fatal_error proc~chk_free->proc~fatal_error proc~chk_alloc->proc~fatal_error proc~inplane_angle_jacobian->proc~versor_der proc~inplane_angle_jacobian->proc~simple_angle_jacobian proc~inplane_angle_jacobian->proc~cross_product proc~inplane_angle_jacobian->proc~vec_skw 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_link_atom_geomgrad~~CalledByGraph proc~ommp_qm_helper_link_atom_geomgrad ommp_qm_helper_link_atom_geomgrad proc~c_ommp_qm_helper_link_atom_geomgrad C_ommp_qm_helper_link_atom_geomgrad proc~c_ommp_qm_helper_link_atom_geomgrad->proc~ommp_qm_helper_link_atom_geomgrad

Contents