link_atom_bond_geomgrad Subroutine

public subroutine link_atom_bond_geomgrad(la, qmg, mmg, doqm, domm)

Uses

  • proc~~link_atom_bond_geomgrad~~UsesGraph proc~link_atom_bond_geomgrad link_atom_bond_geomgrad module~mod_bonded mod_bonded proc~link_atom_bond_geomgrad->module~mod_bonded module~mod_topology mod_topology module~mod_bonded->module~mod_topology module~mod_io mod_io module~mod_bonded->module~mod_io module~mod_memory mod_memory module~mod_bonded->module~mod_memory module~mod_topology->module~mod_memory module~mod_adjacency_mat mod_adjacency_mat module~mod_topology->module~mod_adjacency_mat module~mod_constants mod_constants module~mod_io->module~mod_constants module~mod_memory->module~mod_io module~mod_memory->module~mod_constants iso_c_binding iso_c_binding module~mod_memory->iso_c_binding module~mod_adjacency_mat->module~mod_memory module~mod_constants->iso_c_binding

Arguments

Type IntentOptional Attributes Name
type(ommp_link_atom_type), intent(in) :: la
real(kind=rp), intent(inout) :: qmg(:,:)
real(kind=rp), intent(inout) :: mmg(:,:)
logical, intent(in) :: doqm
logical, intent(in) :: domm

Calls

proc~~link_atom_bond_geomgrad~~CallsGraph proc~link_atom_bond_geomgrad link_atom_bond_geomgrad interface~mallocate mallocate proc~link_atom_bond_geomgrad->interface~mallocate proc~bond_geomgrad bond_geomgrad proc~link_atom_bond_geomgrad->proc~bond_geomgrad interface~mfree mfree proc~link_atom_bond_geomgrad->interface~mfree 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~i_alloc1 i_alloc1 interface~mallocate->proc~i_alloc1 proc~r_alloc2 r_alloc2 interface~mallocate->proc~r_alloc2 proc~i_alloc3 i_alloc3 interface~mallocate->proc~i_alloc3 proc~l_alloc1 l_alloc1 interface~mallocate->proc~l_alloc1 proc~l_alloc2 l_alloc2 interface~mallocate->proc~l_alloc2 proc~rij_jacobian Rij_jacobian proc~bond_geomgrad->proc~rij_jacobian proc~i_free1 i_free1 interface~mfree->proc~i_free1 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_free1 r_free1 interface~mfree->proc~r_free1 proc~r_free2 r_free2 interface~mfree->proc~r_free2 proc~l_free2 l_free2 interface~mfree->proc~l_free2 proc~i_free3 i_free3 interface~mfree->proc~i_free3 proc~chk_free chk_free proc~i_free1->proc~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~r_alloc1->proc~chk_alloc proc~memory_init memory_init 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~i_alloc1->proc~chk_alloc proc~i_alloc1->proc~memory_init proc~r_alloc2->proc~chk_alloc proc~r_alloc2->proc~memory_init proc~i_alloc3->proc~chk_alloc proc~i_alloc3->proc~memory_init proc~l_alloc1->proc~chk_alloc proc~l_alloc1->proc~memory_init proc~l_alloc2->proc~chk_alloc proc~l_alloc2->proc~memory_init proc~r_free1->proc~chk_free proc~r_free2->proc~chk_free proc~l_free2->proc~chk_free proc~i_free3->proc~chk_free proc~fatal_error fatal_error proc~chk_free->proc~fatal_error proc~chk_alloc->proc~fatal_error 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~~link_atom_bond_geomgrad~~CalledByGraph proc~link_atom_bond_geomgrad link_atom_bond_geomgrad proc~ommp_bond_geomgrad ommp_bond_geomgrad proc~ommp_bond_geomgrad->proc~link_atom_bond_geomgrad proc~qm_helper_link_atom_geomgrad qm_helper_link_atom_geomgrad proc~qm_helper_link_atom_geomgrad->proc~link_atom_bond_geomgrad proc~ommp_full_bnd_geomgrad ommp_full_bnd_geomgrad proc~ommp_full_bnd_geomgrad->proc~link_atom_bond_geomgrad proc~c_ommp_bond_geomgrad C_ommp_bond_geomgrad proc~c_ommp_bond_geomgrad->proc~ommp_bond_geomgrad proc~c_ommp_full_bnd_geomgrad C_ommp_full_bnd_geomgrad proc~c_ommp_full_bnd_geomgrad->proc~ommp_full_bnd_geomgrad proc~ommp_qm_helper_link_atom_geomgrad ommp_qm_helper_link_atom_geomgrad proc~ommp_qm_helper_link_atom_geomgrad->proc~qm_helper_link_atom_geomgrad proc~ommp_full_geomgrad ommp_full_geomgrad proc~ommp_full_geomgrad->proc~ommp_full_bnd_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 proc~c_ommp_full_geomgrad C_ommp_full_geomgrad proc~c_ommp_full_geomgrad->proc~ommp_full_geomgrad

Contents