prepare_fmm_ext_ipd Subroutine

private subroutine prepare_fmm_ext_ipd(eel, fmm, ipd)

Uses

  • proc~~prepare_fmm_ext_ipd~~UsesGraph proc~prepare_fmm_ext_ipd prepare_fmm_ext_ipd module~mod_memory mod_memory proc~prepare_fmm_ext_ipd->module~mod_memory module~mod_io mod_io module~mod_memory->module~mod_io module~mod_constants mod_constants module~mod_memory->module~mod_constants iso_c_binding iso_c_binding module~mod_memory->iso_c_binding module~mod_io->module~mod_constants module~mod_constants->iso_c_binding

Arguments

Type IntentOptional Attributes Name
type(ommp_electrostatics_type), intent(in) :: eel

Electrostatics data structure
type(fmm_type), intent(inout) :: fmm

fmm object used to run the calculation
real(kind=rp), intent(in) :: ipd(3,eel%pol_atoms)

External induced point dipoles at polarizable sites

Calls

proc~~prepare_fmm_ext_ipd~~CallsGraph proc~prepare_fmm_ext_ipd prepare_fmm_ext_ipd interface~mallocate mallocate proc~prepare_fmm_ext_ipd->interface~mallocate proc~fmm_solve_for_multipoles fmm_solve_for_multipoles proc~prepare_fmm_ext_ipd->proc~fmm_solve_for_multipoles interface~mfree mfree proc~prepare_fmm_ext_ipd->interface~mfree 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~fatal_error fatal_error proc~fmm_solve_for_multipoles->proc~fatal_error proc~tree_p2m tree_p2m proc~fmm_solve_for_multipoles->proc~tree_p2m proc~tree_m2m tree_m2m proc~fmm_solve_for_multipoles->proc~tree_m2m proc~tree_l2l tree_l2l proc~fmm_solve_for_multipoles->proc~tree_l2l proc~tree_m2l tree_m2l proc~fmm_solve_for_multipoles->proc~tree_m2l proc~time_pull time_pull proc~fmm_solve_for_multipoles->proc~time_pull proc~time_push time_push proc~fmm_solve_for_multipoles->proc~time_push 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~l_free1 l_free1 interface~mfree->proc~l_free1 proc~l_free2 l_free2 interface~mfree->proc~l_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~chk_free 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~ommp_message ommp_message proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~fmm_error fmm_error proc~tree_p2m->proc~fmm_error proc~ntot_sph_harm ntot_sph_harm proc~tree_p2m->proc~ntot_sph_harm proc~fmm_m2m fmm_m2m proc~tree_p2m->proc~fmm_m2m proc~r_free2->proc~chk_free proc~l_free1->proc~chk_free proc~l_free2->proc~chk_free proc~i_free3->proc~chk_free proc~tree_m2m->proc~ntot_sph_harm proc~tree_m2m->proc~fmm_m2m proc~i_free1->proc~chk_free proc~tree_l2l->proc~ntot_sph_harm proc~fmm_l2l fmm_l2l proc~tree_l2l->proc~fmm_l2l proc~tree_m2l->proc~ntot_sph_harm proc~fmm_m2l fmm_m2l proc~tree_m2l->proc~fmm_m2l proc~time_pull->proc~fatal_error proc~mem_stat mem_stat proc~time_pull->proc~mem_stat proc~time_pull->proc~ommp_message 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~time_push->proc~fatal_error proc~time_push->proc~mem_stat proc~mem_stat->proc~memory_init proc~chk_free->proc~fatal_error proc~chk_alloc->proc~fatal_error proc~close_output->proc~ommp_message proc~fmm_m2m_rotation_work fmm_m2m_rotation_work proc~fmm_m2m->proc~fmm_m2m_rotation_work proc~fmm_l2l_rotation_work fmm_l2l_rotation_work proc~fmm_l2l->proc~fmm_l2l_rotation_work proc~make_vfact make_vfact proc~fmm_l2l->proc~make_vfact proc~fmm_m2l_rotation_work fmm_m2l_rotation_work proc~fmm_m2l->proc~fmm_m2l_rotation_work proc~carttosph carttosph proc~fmm_m2m_rotation_work->proc~carttosph proc~fmm_m2m_ztranslate_work fmm_m2m_ztranslate_work proc~fmm_m2m_rotation_work->proc~fmm_m2m_ztranslate_work proc~trgev trgev proc~fmm_m2m_rotation_work->proc~trgev proc~fmm_sph_rotate_oz_adj_work fmm_sph_rotate_oz_adj_work proc~fmm_m2m_rotation_work->proc~fmm_sph_rotate_oz_adj_work proc~fmm_sph_rotate_oxz_work fmm_sph_rotate_oxz_work proc~fmm_m2m_rotation_work->proc~fmm_sph_rotate_oxz_work proc~fmm_sph_rotate_oz_work fmm_sph_rotate_oz_work proc~fmm_m2m_rotation_work->proc~fmm_sph_rotate_oz_work proc~fmm_l2l_rotation_work->proc~carttosph proc~fmm_l2l_rotation_work->proc~trgev proc~fmm_l2l_rotation_work->proc~fmm_sph_rotate_oz_adj_work proc~fmm_l2l_rotation_work->proc~fmm_sph_rotate_oxz_work proc~fmm_l2l_rotation_work->proc~fmm_sph_rotate_oz_work proc~fmm_l2l_ztranslate_work fmm_l2l_ztranslate_work proc~fmm_l2l_rotation_work->proc~fmm_l2l_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_oz_adj_work proc~fmm_m2l_rotation_work->proc~fmm_sph_rotate_oxz_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~~prepare_fmm_ext_ipd~~CalledByGraph proc~prepare_fmm_ext_ipd prepare_fmm_ext_ipd proc~field_extd2d field_extD2D proc~field_extd2d->proc~prepare_fmm_ext_ipd proc~prepare_fmm_ipd prepare_fmm_ipd proc~prepare_fmm_ipd->proc~prepare_fmm_ext_ipd proc~tmatvec_otf TMatVec_otf proc~tmatvec_otf->proc~field_extd2d proc~elec_prop_d2m elec_prop_D2M proc~elec_prop_d2m->proc~prepare_fmm_ipd proc~elec_prop_d2d elec_prop_D2D proc~elec_prop_d2d->proc~prepare_fmm_ipd proc~prepare_polelec prepare_polelec proc~prepare_polelec->proc~elec_prop_d2m proc~prepare_polelec->proc~elec_prop_d2d proc~polelec_geomgrad polelec_geomgrad proc~polelec_geomgrad->proc~prepare_polelec proc~ommp_get_polelec_energy ommp_get_polelec_energy proc~ommp_get_polelec_energy->proc~prepare_polelec proc~energy_mm_pol energy_MM_pol proc~ommp_get_polelec_energy->proc~energy_mm_pol proc~ommp_set_external_field ommp_set_external_field proc~ommp_set_external_field->proc~prepare_polelec proc~energy_mm_pol->proc~prepare_polelec proc~ommp_polelec_geomgrad ommp_polelec_geomgrad proc~ommp_polelec_geomgrad->proc~polelec_geomgrad proc~c_ommp_get_polelec_energy C_ommp_get_polelec_energy proc~c_ommp_get_polelec_energy->proc~ommp_get_polelec_energy proc~ommp_get_full_ele_energy ommp_get_full_ele_energy proc~ommp_get_full_ele_energy->proc~ommp_get_polelec_energy proc~ommp_set_external_field_nomm ommp_set_external_field_nomm proc~ommp_set_external_field_nomm->proc~ommp_set_external_field proc~ommp_full_geomgrad ommp_full_geomgrad proc~ommp_full_geomgrad->proc~polelec_geomgrad proc~c_ommp_set_external_field_nomm C_ommp_set_external_field_nomm proc~c_ommp_set_external_field_nomm->proc~ommp_set_external_field proc~c_ommp_set_external_field C_ommp_set_external_field proc~c_ommp_set_external_field->proc~ommp_set_external_field proc~c_ommp_polelec_geomgrad C_ommp_polelec_geomgrad proc~c_ommp_polelec_geomgrad->proc~ommp_polelec_geomgrad proc~c_ommp_full_geomgrad C_ommp_full_geomgrad proc~c_ommp_full_geomgrad->proc~ommp_full_geomgrad proc~c_ommp_get_full_ele_energy C_ommp_get_full_ele_energy proc~c_ommp_get_full_ele_energy->proc~ommp_get_full_ele_energy proc~ommp_get_full_energy ommp_get_full_energy proc~ommp_get_full_energy->proc~ommp_get_full_ele_energy proc~c_ommp_get_full_energy C_ommp_get_full_energy proc~c_ommp_get_full_energy->proc~ommp_get_full_energy

Contents