ommp_full_bnd_geomgrad Subroutine

public subroutine ommp_full_bnd_geomgrad(s, grd)

Uses

  • proc~~ommp_full_bnd_geomgrad~~UsesGraph proc~ommp_full_bnd_geomgrad ommp_full_bnd_geomgrad module~mod_link_atom mod_link_atom proc~ommp_full_bnd_geomgrad->module~mod_link_atom module~mod_bonded mod_bonded proc~ommp_full_bnd_geomgrad->module~mod_bonded module~mod_link_atom->module~mod_bonded module~mod_constants mod_constants module~mod_link_atom->module~mod_constants module~mod_utils mod_utils module~mod_link_atom->module~mod_utils module~mod_io mod_io module~mod_link_atom->module~mod_io module~mod_topology mod_topology module~mod_link_atom->module~mod_topology module~mod_memory mod_memory module~mod_link_atom->module~mod_memory module~mod_nonbonded mod_nonbonded module~mod_link_atom->module~mod_nonbonded module~mod_bonded->module~mod_io module~mod_bonded->module~mod_topology module~mod_bonded->module~mod_memory iso_c_binding iso_c_binding module~mod_constants->iso_c_binding module~mod_utils->module~mod_constants module~mod_utils->module~mod_memory module~mod_io->module~mod_constants module~mod_topology->module~mod_memory module~mod_adjacency_mat mod_adjacency_mat module~mod_topology->module~mod_adjacency_mat module~mod_memory->module~mod_constants module~mod_memory->module~mod_io module~mod_memory->iso_c_binding module~mod_nonbonded->module~mod_constants module~mod_nonbonded->module~mod_topology module~mod_nonbonded->module~mod_memory module~mod_nonbonded->module~mod_adjacency_mat module~mod_neighbor_list mod_neighbor_list module~mod_nonbonded->module~mod_neighbor_list module~mod_adjacency_mat->module~mod_memory module~mod_neighbor_list->module~mod_io module~mod_neighbor_list->module~mod_memory module~mod_neighbor_list->module~mod_adjacency_mat

Arguments

Type IntentOptional Attributes Name
type(ommp_system), intent(inout), target :: s
real(kind=ommp_real), intent(out) :: grd(3,s%top%mm_atoms)

Calls

proc~~ommp_full_bnd_geomgrad~~CallsGraph proc~ommp_full_bnd_geomgrad ommp_full_bnd_geomgrad proc~imptorsion_geomgrad imptorsion_geomgrad proc~ommp_full_bnd_geomgrad->proc~imptorsion_geomgrad proc~opb_geomgrad opb_geomgrad proc~ommp_full_bnd_geomgrad->proc~opb_geomgrad proc~pitors_geomgrad pitors_geomgrad proc~ommp_full_bnd_geomgrad->proc~pitors_geomgrad proc~torsion_geomgrad torsion_geomgrad proc~ommp_full_bnd_geomgrad->proc~torsion_geomgrad proc~strtor_geomgrad strtor_geomgrad proc~ommp_full_bnd_geomgrad->proc~strtor_geomgrad proc~link_atom_update_merged_topology link_atom_update_merged_topology proc~ommp_full_bnd_geomgrad->proc~link_atom_update_merged_topology proc~link_atom_bond_geomgrad link_atom_bond_geomgrad proc~ommp_full_bnd_geomgrad->proc~link_atom_bond_geomgrad proc~tortor_geomgrad tortor_geomgrad proc~ommp_full_bnd_geomgrad->proc~tortor_geomgrad proc~link_atom_torsion_geomgrad link_atom_torsion_geomgrad proc~ommp_full_bnd_geomgrad->proc~link_atom_torsion_geomgrad proc~time_pull time_pull proc~ommp_full_bnd_geomgrad->proc~time_pull proc~time_push time_push proc~ommp_full_bnd_geomgrad->proc~time_push proc~urey_geomgrad urey_geomgrad proc~ommp_full_bnd_geomgrad->proc~urey_geomgrad proc~bond_geomgrad bond_geomgrad proc~ommp_full_bnd_geomgrad->proc~bond_geomgrad proc~strbnd_geomgrad strbnd_geomgrad proc~ommp_full_bnd_geomgrad->proc~strbnd_geomgrad proc~angle_geomgrad angle_geomgrad proc~ommp_full_bnd_geomgrad->proc~angle_geomgrad proc~angtor_geomgrad angtor_geomgrad proc~ommp_full_bnd_geomgrad->proc~angtor_geomgrad proc~link_atom_angle_geomgrad link_atom_angle_geomgrad proc~ommp_full_bnd_geomgrad->proc~link_atom_angle_geomgrad proc~torsion_angle_jacobian torsion_angle_jacobian proc~imptorsion_geomgrad->proc~torsion_angle_jacobian proc~opb_angle_jacobian opb_angle_jacobian proc~opb_geomgrad->proc~opb_angle_jacobian proc~pitors_angle_jacobian pitors_angle_jacobian proc~pitors_geomgrad->proc~pitors_angle_jacobian proc~torsion_geomgrad->proc~torsion_angle_jacobian proc~strtor_geomgrad->proc~torsion_angle_jacobian proc~rij_jacobian Rij_jacobian proc~strtor_geomgrad->proc~rij_jacobian proc~link_atom_bond_geomgrad->proc~bond_geomgrad interface~mallocate mallocate proc~link_atom_bond_geomgrad->interface~mallocate interface~mfree mfree proc~link_atom_bond_geomgrad->interface~mfree proc~tortor_geomgrad->proc~torsion_angle_jacobian proc~compute_bicubic_interp compute_bicubic_interp proc~tortor_geomgrad->proc~compute_bicubic_interp proc~ang_torsion ang_torsion proc~tortor_geomgrad->proc~ang_torsion proc~link_atom_torsion_geomgrad->proc~torsion_geomgrad proc~link_atom_torsion_geomgrad->interface~mallocate proc~link_atom_torsion_geomgrad->interface~mfree proc~mem_stat mem_stat proc~time_pull->proc~mem_stat proc~ommp_message ommp_message proc~time_pull->proc~ommp_message proc~fatal_error fatal_error proc~time_pull->proc~fatal_error proc~time_push->proc~mem_stat proc~time_push->proc~fatal_error proc~urey_geomgrad->proc~rij_jacobian proc~bond_geomgrad->proc~rij_jacobian proc~simple_angle_jacobian simple_angle_jacobian proc~strbnd_geomgrad->proc~simple_angle_jacobian proc~strbnd_geomgrad->proc~rij_jacobian proc~angle_geomgrad->proc~simple_angle_jacobian proc~inplane_angle_jacobian inplane_angle_jacobian proc~angle_geomgrad->proc~inplane_angle_jacobian proc~angtor_geomgrad->proc~simple_angle_jacobian proc~angtor_geomgrad->proc~torsion_angle_jacobian proc~link_atom_angle_geomgrad->proc~angle_geomgrad proc~link_atom_angle_geomgrad->interface~mallocate proc~link_atom_angle_geomgrad->interface~mfree proc~versor_der versor_der proc~torsion_angle_jacobian->proc~versor_der proc~vec_skw vec_skw proc~torsion_angle_jacobian->proc~vec_skw proc~cross_product cross_product proc~torsion_angle_jacobian->proc~cross_product proc~opb_angle_jacobian->proc~versor_der proc~opb_angle_jacobian->proc~vec_skw proc~opb_angle_jacobian->proc~cross_product proc~pitors_angle_jacobian->proc~versor_der proc~pitors_angle_jacobian->proc~vec_skw proc~pitors_angle_jacobian->proc~cross_product proc~l_alloc2 l_alloc2 interface~mallocate->proc~l_alloc2 proc~i_alloc1 i_alloc1 interface~mallocate->proc~i_alloc1 proc~i_alloc3 i_alloc3 interface~mallocate->proc~i_alloc3 proc~r_alloc1 r_alloc1 interface~mallocate->proc~r_alloc1 proc~i_alloc2 i_alloc2 interface~mallocate->proc~i_alloc2 proc~r_alloc3 r_alloc3 interface~mallocate->proc~r_alloc3 proc~r_alloc2 r_alloc2 interface~mallocate->proc~r_alloc2 proc~l_alloc1 l_alloc1 interface~mallocate->proc~l_alloc1 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_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~i_free3 i_free3 interface~mfree->proc~i_free3 proc~memory_init memory_init proc~mem_stat->proc~memory_init proc~inplane_angle_jacobian->proc~simple_angle_jacobian proc~inplane_angle_jacobian->proc~versor_der proc~inplane_angle_jacobian->proc~vec_skw proc~inplane_angle_jacobian->proc~cross_product proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~l_alloc2->proc~memory_init proc~chk_alloc chk_alloc proc~l_alloc2->proc~chk_alloc proc~chk_free chk_free proc~l_free1->proc~chk_free proc~i_free2->proc~chk_free proc~r_free3->proc~chk_free proc~i_alloc1->proc~memory_init proc~i_alloc1->proc~chk_alloc proc~i_alloc3->proc~memory_init proc~i_alloc3->proc~chk_alloc proc~r_free2->proc~chk_free proc~close_output->proc~ommp_message proc~i_free1->proc~chk_free proc~r_free1->proc~chk_free proc~r_alloc1->proc~memory_init proc~r_alloc1->proc~chk_alloc proc~i_alloc2->proc~memory_init proc~i_alloc2->proc~chk_alloc proc~r_alloc3->proc~memory_init proc~r_alloc3->proc~chk_alloc proc~r_alloc2->proc~memory_init proc~r_alloc2->proc~chk_alloc proc~l_alloc1->proc~memory_init proc~l_alloc1->proc~chk_alloc proc~l_free2->proc~chk_free proc~i_free3->proc~chk_free proc~chk_alloc->proc~fatal_error proc~chk_free->proc~fatal_error

Called by

proc~~ommp_full_bnd_geomgrad~~CalledByGraph proc~ommp_full_bnd_geomgrad ommp_full_bnd_geomgrad proc~ommp_full_geomgrad ommp_full_geomgrad proc~ommp_full_geomgrad->proc~ommp_full_bnd_geomgrad proc~c_ommp_full_bnd_geomgrad C_ommp_full_bnd_geomgrad proc~c_ommp_full_bnd_geomgrad->proc~ommp_full_bnd_geomgrad proc~c_ommp_full_geomgrad C_ommp_full_geomgrad proc~c_ommp_full_geomgrad->proc~ommp_full_geomgrad

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