fixedelec_geomgrad Subroutine

public subroutine fixedelec_geomgrad(s, grad)

Uses

  • proc~~fixedelec_geomgrad~~UsesGraph proc~fixedelec_geomgrad fixedelec_geomgrad module~mod_electrostatics mod_electrostatics proc~fixedelec_geomgrad->module~mod_electrostatics module~mod_profiling mod_profiling module~mod_electrostatics->module~mod_profiling module~mod_adjacency_mat mod_adjacency_mat module~mod_electrostatics->module~mod_adjacency_mat module~mod_topology mod_topology module~mod_electrostatics->module~mod_topology module~mod_io mod_io module~mod_electrostatics->module~mod_io module~mod_constants mod_constants module~mod_electrostatics->module~mod_constants module~fmmlib_interface fmmlib_interface module~mod_electrostatics->module~fmmlib_interface module~mod_memory mod_memory module~mod_electrostatics->module~mod_memory module~mod_profiling->module~mod_io module~mod_profiling->module~mod_constants module~mod_profiling->module~mod_memory module~mod_adjacency_mat->module~mod_memory module~mod_topology->module~mod_adjacency_mat module~mod_topology->module~mod_memory module~mod_io->module~mod_constants iso_c_binding iso_c_binding module~mod_constants->iso_c_binding module~fmmlib_interface->module~mod_constants module~mod_ribtree mod_ribtree module~fmmlib_interface->module~mod_ribtree module~mod_harmonics mod_harmonics module~fmmlib_interface->module~mod_harmonics module~mod_tree mod_tree module~fmmlib_interface->module~mod_tree module~mod_fmm mod_fmm module~fmmlib_interface->module~mod_fmm module~mod_fmm_utils mod_fmm_utils module~fmmlib_interface->module~mod_fmm_utils module~mod_octatree mod_octatree module~fmmlib_interface->module~mod_octatree module~mod_memory->module~mod_io module~mod_memory->module~mod_constants module~mod_memory->iso_c_binding module~mod_ribtree->module~mod_profiling module~mod_ribtree->module~mod_constants 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_tree->module~mod_adjacency_mat module~mod_tree->module~mod_constants module~mod_tree->module~mod_fmm_utils module~mod_fmm->module~mod_constants module~mod_fmm->module~mod_harmonics module~mod_fmm->module~mod_tree module~mod_fmm->module~mod_fmm_utils module~mod_fmm_utils->module~mod_constants module~mod_octatree->module~mod_profiling module~mod_octatree->module~mod_constants module~mod_octatree->module~mod_tree module~mod_octatree->module~mod_fmm_utils

Arguments

Type IntentOptional Attributes Name
type(ommp_system), intent(inout), target :: s

System data structure
real(kind=rp), intent(inout), dimension(3,s%top%mm_atoms) :: grad

Geometrical gradients in output, results will be added

Calls

proc~~fixedelec_geomgrad~~CallsGraph proc~fixedelec_geomgrad fixedelec_geomgrad proc~time_push time_push proc~fixedelec_geomgrad->proc~time_push proc~prepare_fixedelec prepare_fixedelec proc~fixedelec_geomgrad->proc~prepare_fixedelec proc~time_pull time_pull proc~fixedelec_geomgrad->proc~time_pull proc~rotation_geomgrad rotation_geomgrad proc~fixedelec_geomgrad->proc~rotation_geomgrad proc~mem_stat mem_stat proc~time_push->proc~mem_stat proc~fatal_error fatal_error proc~time_push->proc~fatal_error proc~prepare_fixedelec->proc~time_push proc~prepare_fixedelec->proc~time_pull proc~elec_prop_m2m elec_prop_M2M proc~prepare_fixedelec->proc~elec_prop_m2m interface~mallocate mallocate proc~prepare_fixedelec->interface~mallocate proc~time_pull->proc~mem_stat proc~time_pull->proc~fatal_error proc~ommp_message ommp_message proc~time_pull->proc~ommp_message proc~rotation_matrix rotation_matrix proc~rotation_geomgrad->proc~rotation_matrix proc~memory_init memory_init proc~mem_stat->proc~memory_init proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~preapare_fmm_static preapare_fmm_static proc~elec_prop_m2m->proc~preapare_fmm_static proc~q_elec_prop q_elec_prop proc~elec_prop_m2m->proc~q_elec_prop proc~cart_propfar_at_ipart cart_propfar_at_ipart proc~elec_prop_m2m->proc~cart_propfar_at_ipart proc~coulomb_kernel coulomb_kernel proc~elec_prop_m2m->proc~coulomb_kernel proc~mu_elec_prop mu_elec_prop proc~elec_prop_m2m->proc~mu_elec_prop proc~quad_elec_prop quad_elec_prop proc~elec_prop_m2m->proc~quad_elec_prop proc~r_alloc3 r_alloc3 interface~mallocate->proc~r_alloc3 proc~i_alloc1 i_alloc1 interface~mallocate->proc~i_alloc1 proc~l_alloc2 l_alloc2 interface~mallocate->proc~l_alloc2 proc~i_alloc3 i_alloc3 interface~mallocate->proc~i_alloc3 proc~r_alloc2 r_alloc2 interface~mallocate->proc~r_alloc2 proc~r_alloc1 r_alloc1 interface~mallocate->proc~r_alloc1 proc~i_alloc2 i_alloc2 interface~mallocate->proc~i_alloc2 proc~l_alloc1 l_alloc1 interface~mallocate->proc~l_alloc1 proc~rotation_matrix->proc~fatal_error proc~r_alloc3->proc~memory_init proc~chk_alloc chk_alloc proc~r_alloc3->proc~chk_alloc proc~i_alloc1->proc~memory_init proc~i_alloc1->proc~chk_alloc proc~l_alloc2->proc~memory_init proc~l_alloc2->proc~chk_alloc proc~i_alloc3->proc~memory_init proc~i_alloc3->proc~chk_alloc proc~r_alloc2->proc~memory_init proc~r_alloc2->proc~chk_alloc proc~preapare_fmm_static->interface~mallocate proc~fmm_solve_for_multipoles fmm_solve_for_multipoles proc~preapare_fmm_static->proc~fmm_solve_for_multipoles interface~mfree mfree proc~preapare_fmm_static->interface~mfree proc~fmm_l2l fmm_l2l proc~cart_propfar_at_ipart->proc~fmm_l2l proc~ntot_sph_harm ntot_sph_harm proc~cart_propfar_at_ipart->proc~ntot_sph_harm proc~close_output->proc~ommp_message proc~coulomb_kernel->proc~fatal_error 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~l_alloc1->proc~memory_init proc~l_alloc1->proc~chk_alloc proc~chk_alloc->proc~fatal_error proc~make_vfact make_vfact proc~fmm_l2l->proc~make_vfact proc~fmm_l2l_rotation_work fmm_l2l_rotation_work proc~fmm_l2l->proc~fmm_l2l_rotation_work proc~fmm_solve_for_multipoles->proc~time_push proc~fmm_solve_for_multipoles->proc~time_pull proc~fmm_solve_for_multipoles->proc~fatal_error proc~tree_m2m tree_m2m proc~fmm_solve_for_multipoles->proc~tree_m2m proc~tree_m2l tree_m2l proc~fmm_solve_for_multipoles->proc~tree_m2l proc~tree_p2m tree_p2m proc~fmm_solve_for_multipoles->proc~tree_p2m proc~tree_l2l tree_l2l proc~fmm_solve_for_multipoles->proc~tree_l2l proc~l_free1 l_free1 interface~mfree->proc~l_free1 proc~r_free1 r_free1 interface~mfree->proc~r_free1 proc~i_free2 i_free2 interface~mfree->proc~i_free2 proc~i_free1 i_free1 interface~mfree->proc~i_free1 proc~r_free3 r_free3 interface~mfree->proc~r_free3 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~l_free1->proc~chk_free proc~carttosph carttosph proc~fmm_l2l_rotation_work->proc~carttosph proc~trgev trgev proc~fmm_l2l_rotation_work->proc~trgev proc~fmm_sph_rotate_oxz_work fmm_sph_rotate_oxz_work proc~fmm_l2l_rotation_work->proc~fmm_sph_rotate_oxz_work proc~fmm_l2l_ztranslate_work fmm_l2l_ztranslate_work proc~fmm_l2l_rotation_work->proc~fmm_l2l_ztranslate_work proc~fmm_sph_rotate_oz_adj_work fmm_sph_rotate_oz_adj_work proc~fmm_l2l_rotation_work->proc~fmm_sph_rotate_oz_adj_work proc~fmm_sph_rotate_oz_work fmm_sph_rotate_oz_work proc~fmm_l2l_rotation_work->proc~fmm_sph_rotate_oz_work proc~tree_m2m->proc~ntot_sph_harm proc~fmm_m2m fmm_m2m proc~tree_m2m->proc~fmm_m2m proc~tree_m2l->proc~ntot_sph_harm proc~fmm_m2l fmm_m2l proc~tree_m2l->proc~fmm_m2l proc~tree_p2m->proc~ntot_sph_harm proc~tree_p2m->proc~fmm_m2m proc~fmm_error fmm_error proc~tree_p2m->proc~fmm_error proc~tree_l2l->proc~fmm_l2l proc~tree_l2l->proc~ntot_sph_harm proc~r_free1->proc~chk_free proc~i_free2->proc~chk_free proc~i_free1->proc~chk_free proc~r_free3->proc~chk_free proc~r_free2->proc~chk_free proc~l_free2->proc~chk_free proc~i_free3->proc~chk_free proc~chk_free->proc~fatal_error proc~fmm_m2m_rotation_work fmm_m2m_rotation_work proc~fmm_m2m->proc~fmm_m2m_rotation_work proc~fmm_m2l_rotation_work fmm_m2l_rotation_work proc~fmm_m2l->proc~fmm_m2l_rotation_work proc~fmm_m2m_rotation_work->proc~carttosph proc~fmm_m2m_rotation_work->proc~trgev proc~fmm_m2m_rotation_work->proc~fmm_sph_rotate_oxz_work proc~fmm_m2m_rotation_work->proc~fmm_sph_rotate_oz_adj_work proc~fmm_m2m_rotation_work->proc~fmm_sph_rotate_oz_work proc~fmm_m2m_ztranslate_work fmm_m2m_ztranslate_work proc~fmm_m2m_rotation_work->proc~fmm_m2m_ztranslate_work proc~fmm_m2l_rotation_work->proc~carttosph proc~fmm_m2l_rotation_work->proc~trgev proc~fmm_m2l_rotation_work->proc~fmm_sph_rotate_oxz_work proc~fmm_m2l_rotation_work->proc~fmm_sph_rotate_oz_adj_work proc~fmm_m2l_rotation_work->proc~fmm_sph_rotate_oz_work proc~fmm_m2l_ztranslate_work fmm_m2l_ztranslate_work proc~fmm_m2l_rotation_work->proc~fmm_m2l_ztranslate_work

Called by

proc~~fixedelec_geomgrad~~CalledByGraph proc~fixedelec_geomgrad fixedelec_geomgrad proc~ommp_fixedelec_geomgrad ommp_fixedelec_geomgrad proc~ommp_fixedelec_geomgrad->proc~fixedelec_geomgrad proc~ommp_full_geomgrad ommp_full_geomgrad proc~ommp_full_geomgrad->proc~fixedelec_geomgrad proc~c_ommp_fixedelec_geomgrad C_ommp_fixedelec_geomgrad proc~c_ommp_fixedelec_geomgrad->proc~ommp_fixedelec_geomgrad proc~c_ommp_full_geomgrad C_ommp_full_geomgrad proc~c_ommp_full_geomgrad->proc~ommp_full_geomgrad

Contents