C_ommp_get_full_energy Function

public function C_ommp_get_full_energy(s_prt) result(ene) bind(c, name='ommp_get_full_energy')

Arguments

Type IntentOptional Attributes Name
type(c_ptr), value :: s_prt

Return Value real(kind=ommp_real)


Calls

proc~~c_ommp_get_full_energy~~CallsGraph proc~c_ommp_get_full_energy C_ommp_get_full_energy proc~ommp_get_full_energy ommp_get_full_energy proc~c_ommp_get_full_energy->proc~ommp_get_full_energy proc~time_push time_push proc~ommp_get_full_energy->proc~time_push proc~ommp_get_vdw_energy ommp_get_vdw_energy proc~ommp_get_full_energy->proc~ommp_get_vdw_energy proc~ommp_get_full_ele_energy ommp_get_full_ele_energy proc~ommp_get_full_energy->proc~ommp_get_full_ele_energy proc~ommp_get_full_bnd_energy ommp_get_full_bnd_energy proc~ommp_get_full_energy->proc~ommp_get_full_bnd_energy proc~time_pull time_pull proc~ommp_get_full_energy->proc~time_pull proc~mem_stat mem_stat proc~time_push->proc~mem_stat proc~fatal_error fatal_error proc~time_push->proc~fatal_error proc~ommp_get_vdw_energy->proc~time_push proc~ommp_get_vdw_energy->proc~time_pull proc~vdw_potential vdw_potential proc~ommp_get_vdw_energy->proc~vdw_potential proc~ommp_get_fixedelec_energy ommp_get_fixedelec_energy proc~ommp_get_full_ele_energy->proc~ommp_get_fixedelec_energy proc~ommp_get_polelec_energy ommp_get_polelec_energy proc~ommp_get_full_ele_energy->proc~ommp_get_polelec_energy proc~ommp_get_full_bnd_energy->proc~time_push proc~ommp_get_full_bnd_energy->proc~time_pull proc~torsion_potential torsion_potential proc~ommp_get_full_bnd_energy->proc~torsion_potential proc~strtor_potential strtor_potential proc~ommp_get_full_bnd_energy->proc~strtor_potential proc~opb_potential opb_potential proc~ommp_get_full_bnd_energy->proc~opb_potential proc~imptorsion_potential imptorsion_potential proc~ommp_get_full_bnd_energy->proc~imptorsion_potential proc~pitors_potential pitors_potential proc~ommp_get_full_bnd_energy->proc~pitors_potential proc~link_atom_update_merged_topology link_atom_update_merged_topology proc~ommp_get_full_bnd_energy->proc~link_atom_update_merged_topology proc~angle_potential angle_potential proc~ommp_get_full_bnd_energy->proc~angle_potential proc~bond_potential bond_potential proc~ommp_get_full_bnd_energy->proc~bond_potential proc~urey_potential urey_potential proc~ommp_get_full_bnd_energy->proc~urey_potential proc~strbnd_potential strbnd_potential proc~ommp_get_full_bnd_energy->proc~strbnd_potential proc~angtor_potential angtor_potential proc~ommp_get_full_bnd_energy->proc~angtor_potential proc~tortor_potential tortor_potential proc~ommp_get_full_bnd_energy->proc~tortor_potential proc~ommp_message ommp_message proc~time_pull->proc~ommp_message proc~time_pull->proc~mem_stat proc~time_pull->proc~fatal_error 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~ommp_get_fixedelec_energy->proc~time_push proc~ommp_get_fixedelec_energy->proc~time_pull proc~energy_mm_mm energy_MM_MM proc~ommp_get_fixedelec_energy->proc~energy_mm_mm proc~ommp_get_polelec_energy->proc~time_push proc~ommp_get_polelec_energy->proc~time_pull proc~prepare_polelec prepare_polelec 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~polarization polarization proc~ommp_get_polelec_energy->proc~polarization proc~vdw_potential->proc~time_push proc~vdw_potential->proc~time_pull proc~vdw_potential->proc~fatal_error proc~get_rij0 get_Rij0 proc~vdw_potential->proc~get_rij0 interface~mallocate mallocate proc~vdw_potential->interface~mallocate proc~get_ith_nl get_ith_nl proc~vdw_potential->proc~get_ith_nl proc~get_eij get_eij proc~vdw_potential->proc~get_eij interface~mfree mfree proc~vdw_potential->interface~mfree proc~compute_bicubic_interp compute_bicubic_interp proc~tortor_potential->proc~compute_bicubic_interp proc~ang_torsion ang_torsion proc~tortor_potential->proc~ang_torsion proc~prepare_polelec->proc~fatal_error proc~prepare_polelec->interface~mallocate proc~elec_prop_d2m elec_prop_D2M proc~prepare_polelec->proc~elec_prop_d2m proc~elec_prop_d2d elec_prop_D2D proc~prepare_polelec->proc~elec_prop_d2d proc~elec_prop_m2d elec_prop_M2D proc~prepare_polelec->proc~elec_prop_m2d proc~prepare_fixedelec prepare_fixedelec proc~energy_mm_mm->proc~prepare_fixedelec proc~close_output->proc~ommp_message proc~energy_mm_pol->proc~fatal_error proc~energy_mm_pol->proc~prepare_polelec proc~polarization->proc~time_push proc~polarization->proc~time_pull proc~polarization->proc~ommp_message proc~polarization->proc~fatal_error proc~polarization->interface~mallocate proc~polarization->interface~mfree proc~create_tmat create_tmat proc~polarization->proc~create_tmat proc~conjugate_gradient_solver conjugate_gradient_solver proc~polarization->proc~conjugate_gradient_solver proc~inversion_solver inversion_solver proc~polarization->proc~inversion_solver proc~jacobi_diis_solver jacobi_diis_solver proc~polarization->proc~jacobi_diis_solver 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_alloc3 r_alloc3 interface~mallocate->proc~r_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~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~l_free2 l_free2 interface~mfree->proc~l_free2 proc~i_free3 i_free3 interface~mfree->proc~i_free3 proc~r_free1 r_free1 interface~mfree->proc~r_free1 proc~i_free1 i_free1 interface~mfree->proc~i_free1 proc~chk_free chk_free proc~l_free1->proc~chk_free proc~i_alloc1->proc~memory_init proc~chk_alloc chk_alloc 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~i_free2->proc~chk_free proc~elec_prop_d2m->proc~fatal_error proc~cart_propfar_at_ipart cart_propfar_at_ipart proc~elec_prop_d2m->proc~cart_propfar_at_ipart proc~mu_elec_prop mu_elec_prop proc~elec_prop_d2m->proc~mu_elec_prop proc~prepare_fmm_ipd prepare_fmm_ipd proc~elec_prop_d2m->proc~prepare_fmm_ipd proc~damped_coulomb_kernel damped_coulomb_kernel proc~elec_prop_d2m->proc~damped_coulomb_kernel proc~create_tmat->proc~ommp_message proc~dipole_t dipole_T proc~create_tmat->proc~dipole_t proc~conjugate_gradient_solver->proc~ommp_message proc~conjugate_gradient_solver->proc~fatal_error proc~conjugate_gradient_solver->interface~mallocate proc~conjugate_gradient_solver->interface~mfree proc~inversion_solver->interface~mallocate proc~inversion_solver->interface~mfree dgemm dgemm proc~inversion_solver->dgemm dgetrf dgetrf proc~inversion_solver->dgetrf dgetri dgetri proc~inversion_solver->dgetri 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~r_alloc3->proc~memory_init proc~r_alloc3->proc~chk_alloc proc~r_free1->proc~chk_free proc~i_free1->proc~chk_free proc~r_alloc2->proc~memory_init proc~r_alloc2->proc~chk_alloc proc~elec_prop_d2d->proc~fatal_error proc~elec_prop_d2d->proc~cart_propfar_at_ipart proc~elec_prop_d2d->proc~mu_elec_prop proc~elec_prop_d2d->proc~prepare_fmm_ipd proc~elec_prop_d2d->proc~damped_coulomb_kernel proc~prepare_fixedelec->proc~time_push proc~prepare_fixedelec->proc~time_pull proc~prepare_fixedelec->interface~mallocate proc~elec_prop_m2m elec_prop_M2M proc~prepare_fixedelec->proc~elec_prop_m2m proc~quad_elec_prop quad_elec_prop proc~elec_prop_m2d->proc~quad_elec_prop proc~elec_prop_m2d->proc~cart_propfar_at_ipart proc~elec_prop_m2d->proc~mu_elec_prop proc~elec_prop_m2d->proc~damped_coulomb_kernel proc~q_elec_prop q_elec_prop proc~elec_prop_m2d->proc~q_elec_prop proc~preapare_fmm_static preapare_fmm_static proc~elec_prop_m2d->proc~preapare_fmm_static proc~jacobi_diis_solver->proc~ommp_message proc~jacobi_diis_solver->proc~fatal_error proc~jacobi_diis_solver->interface~mallocate proc~jacobi_diis_solver->interface~mfree proc~diis diis proc~jacobi_diis_solver->proc~diis proc~rmsvec rmsvec proc~jacobi_diis_solver->proc~rmsvec 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~diis->interface~mallocate proc~diis->interface~mfree dgesv dgesv proc~diis->dgesv proc~makeb makeb proc~diis->proc~makeb proc~chk_free->proc~fatal_error proc~chk_alloc->proc~fatal_error 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~prepare_fmm_ipd->proc~fatal_error proc~prepare_fmm_ext_ipd prepare_fmm_ext_ipd proc~prepare_fmm_ipd->proc~prepare_fmm_ext_ipd proc~damped_coulomb_kernel->proc~fatal_error proc~coulomb_kernel coulomb_kernel proc~damped_coulomb_kernel->proc~coulomb_kernel proc~dipole_t->proc~damped_coulomb_kernel proc~screening_rules screening_rules proc~dipole_t->proc~screening_rules proc~elec_prop_m2m->proc~quad_elec_prop proc~elec_prop_m2m->proc~cart_propfar_at_ipart proc~elec_prop_m2m->proc~mu_elec_prop proc~elec_prop_m2m->proc~q_elec_prop proc~elec_prop_m2m->proc~preapare_fmm_static proc~elec_prop_m2m->proc~coulomb_kernel proc~preapare_fmm_static->interface~mallocate proc~preapare_fmm_static->interface~mfree proc~fmm_solve_for_multipoles fmm_solve_for_multipoles proc~preapare_fmm_static->proc~fmm_solve_for_multipoles 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~prepare_fmm_ext_ipd->interface~mallocate proc~prepare_fmm_ext_ipd->interface~mfree proc~prepare_fmm_ext_ipd->proc~fmm_solve_for_multipoles proc~coulomb_kernel->proc~fatal_error proc~screening_rules->proc~fatal_error 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~carttosph carttosph proc~fmm_l2l_rotation_work->proc~carttosph proc~fmm_l2l_ztranslate_work fmm_l2l_ztranslate_work proc~fmm_l2l_rotation_work->proc~fmm_l2l_ztranslate_work 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_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~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

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