C_ommp_system_from_qm_helper Function

public function C_ommp_system_from_qm_helper(cqmh, cprm_file) result(csys) bind(c, name='ommp_system_from_qm_helper')

Arguments

Type IntentOptional Attributes Name
type(c_ptr), intent(in), value :: cqmh
character(kind=c_char), intent(in) :: cprm_file(OMMP_STR_CHAR_MAX)

Return Value type(c_ptr)


Calls

proc~~c_ommp_system_from_qm_helper~~CallsGraph proc~c_ommp_system_from_qm_helper C_ommp_system_from_qm_helper proc~c2f_string c2f_string proc~c_ommp_system_from_qm_helper->proc~c2f_string proc~ommp_system_from_qm_helper ommp_system_from_qm_helper proc~c_ommp_system_from_qm_helper->proc~ommp_system_from_qm_helper proc~assign_pitors assign_pitors proc~ommp_system_from_qm_helper->proc~assign_pitors proc~assign_imptorsion assign_imptorsion proc~ommp_system_from_qm_helper->proc~assign_imptorsion proc~assign_opb assign_opb proc~ommp_system_from_qm_helper->proc~assign_opb proc~assign_strbnd assign_strbnd proc~ommp_system_from_qm_helper->proc~assign_strbnd proc~assign_mpoles assign_mpoles proc~ommp_system_from_qm_helper->proc~assign_mpoles proc~fatal_error fatal_error proc~ommp_system_from_qm_helper->proc~fatal_error proc~large_file_read large_file_read proc~ommp_system_from_qm_helper->proc~large_file_read proc~str_uncomment str_uncomment proc~ommp_system_from_qm_helper->proc~str_uncomment proc~check_keyword~2 check_keyword proc~ommp_system_from_qm_helper->proc~check_keyword~2 proc~ommp_message ommp_message proc~ommp_system_from_qm_helper->proc~ommp_message proc~assign_urey assign_urey proc~ommp_system_from_qm_helper->proc~assign_urey proc~assign_torsion assign_torsion proc~ommp_system_from_qm_helper->proc~assign_torsion proc~assign_bond assign_bond proc~ommp_system_from_qm_helper->proc~assign_bond proc~assign_vdw assign_vdw proc~ommp_system_from_qm_helper->proc~assign_vdw proc~check_conn_matrix check_conn_matrix proc~ommp_system_from_qm_helper->proc~check_conn_matrix proc~build_conn_upto_n build_conn_upto_n proc~ommp_system_from_qm_helper->proc~build_conn_upto_n proc~mmpol_init mmpol_init proc~ommp_system_from_qm_helper->proc~mmpol_init proc~assign_tortors assign_tortors proc~ommp_system_from_qm_helper->proc~assign_tortors proc~get_prm_ff_type get_prm_ff_type proc~ommp_system_from_qm_helper->proc~get_prm_ff_type proc~str_to_lower str_to_lower proc~ommp_system_from_qm_helper->proc~str_to_lower proc~assign_pol assign_pol proc~ommp_system_from_qm_helper->proc~assign_pol proc~mmpol_init_nonbonded mmpol_init_nonbonded proc~ommp_system_from_qm_helper->proc~mmpol_init_nonbonded proc~mmpol_init_bonded mmpol_init_bonded proc~ommp_system_from_qm_helper->proc~mmpol_init_bonded proc~assign_angle assign_angle proc~ommp_system_from_qm_helper->proc~assign_angle proc~assign_angtor assign_angtor proc~ommp_system_from_qm_helper->proc~assign_angtor proc~mmpol_prepare mmpol_prepare proc~ommp_system_from_qm_helper->proc~mmpol_prepare proc~assign_strtor assign_strtor proc~ommp_system_from_qm_helper->proc~assign_strtor proc~assign_pitors->proc~fatal_error proc~read_atom_cards read_atom_cards proc~assign_pitors->proc~read_atom_cards interface~mallocate mallocate proc~assign_pitors->interface~mallocate proc~isreal isreal proc~assign_pitors->proc~isreal proc~pitors_init pitors_init proc~assign_pitors->proc~pitors_init interface~mfree mfree proc~assign_pitors->interface~mfree proc~tokenize tokenize proc~assign_pitors->proc~tokenize proc~isint isint proc~assign_pitors->proc~isint proc~assign_imptorsion->proc~fatal_error proc~assign_imptorsion->proc~read_atom_cards proc~assign_imptorsion->interface~mallocate proc~assign_imptorsion->proc~isreal proc~assign_imptorsion->interface~mfree proc~assign_imptorsion->proc~tokenize proc~assign_imptorsion->proc~isint proc~imptorsion_init imptorsion_init proc~assign_imptorsion->proc~imptorsion_init proc~assign_opb->proc~fatal_error proc~assign_opb->proc~read_atom_cards proc~assign_opb->interface~mallocate proc~assign_opb->proc~isreal proc~assign_opb->interface~mfree proc~opb_init opb_init proc~assign_opb->proc~opb_init proc~assign_opb->proc~tokenize proc~assign_opb->proc~isint proc~assign_strbnd->proc~fatal_error proc~assign_strbnd->proc~read_atom_cards proc~assign_strbnd->interface~mallocate proc~assign_strbnd->proc~isreal proc~assign_strbnd->interface~mfree proc~assign_strbnd->proc~tokenize proc~assign_strbnd->proc~isint proc~strbnd_init strbnd_init proc~assign_strbnd->proc~strbnd_init proc~assign_mpoles->proc~fatal_error proc~assign_mpoles->proc~ommp_message proc~assign_mpoles->interface~mallocate proc~assign_mpoles->proc~isreal proc~assign_mpoles->interface~mfree proc~set_screening_parameters set_screening_parameters proc~assign_mpoles->proc~set_screening_parameters proc~assign_mpoles->proc~tokenize proc~assign_mpoles->proc~isint proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~large_file_read->proc~fatal_error proc~check_keyword~2->proc~ommp_message proc~check_keyword~2->proc~str_to_lower proc~keyword_is_recognized~2 keyword_is_recognized proc~check_keyword~2->proc~keyword_is_recognized~2 proc~keyword_is_implemented~2 keyword_is_implemented proc~check_keyword~2->proc~keyword_is_implemented~2 proc~check_keyword~2->proc~tokenize proc~keyword_is_ignored~2 keyword_is_ignored proc~check_keyword~2->proc~keyword_is_ignored~2 proc~starts_with_alpha starts_with_alpha proc~check_keyword~2->proc~starts_with_alpha proc~assign_urey->proc~fatal_error proc~urey_init urey_init proc~assign_urey->proc~urey_init proc~assign_urey->proc~read_atom_cards proc~assign_urey->interface~mallocate proc~assign_urey->proc~isreal proc~assign_urey->interface~mfree proc~assign_urey->proc~tokenize proc~assign_urey->proc~isint proc~assign_torsion->proc~fatal_error proc~torsion_init torsion_init proc~assign_torsion->proc~torsion_init proc~assign_torsion->proc~read_atom_cards proc~assign_torsion->interface~mallocate proc~assign_torsion->proc~isreal proc~assign_torsion->interface~mfree proc~assign_torsion->proc~tokenize proc~assign_torsion->proc~isint proc~assign_bond->proc~fatal_error proc~assign_bond->proc~ommp_message proc~assign_bond->proc~read_atom_cards proc~assign_bond->interface~mallocate proc~assign_bond->proc~isreal proc~assign_bond->interface~mfree proc~bond_init bond_init proc~assign_bond->proc~bond_init proc~assign_bond->proc~tokenize proc~assign_bond->proc~isint proc~assign_vdw->proc~fatal_error proc~assign_vdw->proc~read_atom_cards proc~assign_vdw->interface~mallocate proc~assign_vdw->proc~isreal proc~assign_vdw->interface~mfree proc~vdw_init vdw_init proc~assign_vdw->proc~vdw_init proc~assign_vdw->proc~tokenize proc~assign_vdw->proc~isint proc~vdw_set_pair vdw_set_pair proc~assign_vdw->proc~vdw_set_pair proc~check_conn_matrix->proc~fatal_error proc~check_conn_matrix->proc~build_conn_upto_n proc~copy_yale_sparse copy_yale_sparse proc~check_conn_matrix->proc~copy_yale_sparse proc~free_yale_sparse free_yale_sparse proc~check_conn_matrix->proc~free_yale_sparse proc~sparse_identity sparse_identity proc~build_conn_upto_n->proc~sparse_identity proc~mat_mult mat_mult proc~build_conn_upto_n->proc~mat_mult proc~mat_andnot mat_andnot proc~build_conn_upto_n->proc~mat_andnot proc~build_conn_upto_n->proc~copy_yale_sparse proc~build_conn_upto_n->proc~free_yale_sparse proc~mmpol_init->proc~fatal_error proc~electrostatics_init electrostatics_init proc~mmpol_init->proc~electrostatics_init proc~time_pull time_pull proc~mmpol_init->proc~time_pull proc~topology_init topology_init proc~mmpol_init->proc~topology_init proc~time_push time_push proc~mmpol_init->proc~time_push proc~assign_tortors->proc~fatal_error proc~tortor_init tortor_init proc~assign_tortors->proc~tortor_init proc~assign_tortors->proc~read_atom_cards proc~assign_tortors->interface~mallocate proc~assign_tortors->proc~isreal proc~assign_tortors->interface~mfree proc~assign_tortors->proc~tokenize proc~assign_tortors->proc~isint proc~tortor_newmap tortor_newmap proc~assign_tortors->proc~tortor_newmap proc~get_prm_ff_type->proc~tokenize proc~assign_pol->proc~fatal_error proc~assign_pol->interface~mallocate proc~assign_pol->proc~isreal proc~assign_pol->interface~mfree proc~assign_pol->proc~set_screening_parameters proc~assign_pol->proc~tokenize proc~assign_pol->proc~isint proc~assign_angle->proc~fatal_error proc~assign_angle->proc~ommp_message proc~assign_angle->proc~read_atom_cards proc~assign_angle->interface~mallocate proc~assign_angle->proc~isreal proc~assign_angle->interface~mfree proc~angle_init angle_init proc~assign_angle->proc~angle_init proc~assign_angle->proc~tokenize proc~assign_angle->proc~isint proc~assign_angtor->proc~fatal_error proc~assign_angtor->proc~read_atom_cards proc~assign_angtor->interface~mallocate proc~assign_angtor->proc~isreal proc~assign_angtor->interface~mfree proc~angtor_init angtor_init proc~assign_angtor->proc~angtor_init proc~assign_angtor->proc~tokenize proc~assign_angtor->proc~isint proc~mmpol_prepare->proc~ommp_message proc~mmpol_prepare->proc~build_conn_upto_n proc~mmpol_prepare->proc~time_pull proc~make_screening_lists make_screening_lists proc~mmpol_prepare->proc~make_screening_lists proc~reverse_grp_tab reverse_grp_tab proc~mmpol_prepare->proc~reverse_grp_tab proc~rotate_multipoles rotate_multipoles proc~mmpol_prepare->proc~rotate_multipoles proc~thole_init thole_init proc~mmpol_prepare->proc~thole_init proc~build_pg_adjacency_matrix build_pg_adjacency_matrix proc~mmpol_prepare->proc~build_pg_adjacency_matrix proc~mmpol_prepare->proc~copy_yale_sparse proc~remove_null_pol remove_null_pol proc~mmpol_prepare->proc~remove_null_pol proc~fmm_coordinates_update fmm_coordinates_update proc~mmpol_prepare->proc~fmm_coordinates_update proc~mmpol_prepare->proc~time_push proc~assign_strtor->proc~fatal_error proc~assign_strtor->proc~read_atom_cards proc~assign_strtor->interface~mallocate proc~assign_strtor->proc~isreal proc~assign_strtor->interface~mfree proc~strtor_init strtor_init proc~assign_strtor->proc~strtor_init proc~assign_strtor->proc~tokenize proc~assign_strtor->proc~isint proc~tortor_init->interface~mallocate proc~electrostatics_init->interface~mallocate proc~time_pull->proc~fatal_error proc~time_pull->proc~ommp_message proc~mem_stat mem_stat proc~time_pull->proc~mem_stat proc~make_screening_lists->interface~mallocate proc~make_screening_lists->interface~mfree proc~make_screening_lists->proc~free_yale_sparse proc~fmm_make_neigh_list fmm_make_neigh_list proc~make_screening_lists->proc~fmm_make_neigh_list proc~compress_list compress_list proc~make_screening_lists->proc~compress_list proc~fmm_list_are_near fmm_list_are_near proc~make_screening_lists->proc~fmm_list_are_near proc~screening_rules screening_rules proc~make_screening_lists->proc~screening_rules proc~compress_data compress_data proc~make_screening_lists->proc~compress_data proc~reverse_grp_tab->interface~mallocate proc~reverse_grp_tab->interface~mfree proc~reverse_grp_tab->proc~compress_list proc~urey_init->interface~mallocate proc~torsion_init->interface~mallocate proc~read_atom_cards->proc~fatal_error proc~read_atom_cards->interface~mallocate proc~read_atom_cards->interface~mfree proc~read_atom_cards->proc~tokenize proc~read_atom_cards->proc~isint proc~count_substr_occurence count_substr_occurence proc~read_atom_cards->proc~count_substr_occurence 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~r_alloc3 r_alloc3 interface~mallocate->proc~r_alloc3 proc~l_alloc1 l_alloc1 interface~mallocate->proc~l_alloc1 proc~pitors_init->interface~mallocate 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~opb_init->proc~fatal_error proc~opb_init->proc~ommp_message proc~opb_init->interface~mallocate proc~vdw_init->proc~fatal_error proc~vdw_init->interface~mallocate proc~nl_init nl_init proc~vdw_init->proc~nl_init proc~reallocate_mat reallocate_mat proc~mat_mult->proc~reallocate_mat proc~close_output->proc~ommp_message proc~mat_andnot->proc~reallocate_mat proc~angle_init->interface~mallocate proc~topology_init->interface~mallocate proc~rotation_matrix rotation_matrix proc~rotate_multipoles->proc~rotation_matrix proc~thole_init->proc~fatal_error proc~thole_init->proc~ommp_message proc~strtor_init->interface~mallocate proc~build_pg_adjacency_matrix->proc~reallocate_mat proc~angtor_init->interface~mallocate proc~bond_init->interface~mallocate proc~set_screening_parameters->proc~fatal_error proc~imptorsion_init->interface~mallocate proc~strbnd_init->interface~mallocate proc~tortor_newmap->interface~mallocate proc~tortor_newmap->interface~mfree proc~cyclic_spline cyclic_spline proc~tortor_newmap->proc~cyclic_spline proc~remove_null_pol->proc~ommp_message proc~remove_null_pol->interface~mallocate proc~remove_null_pol->interface~mfree proc~fmm_coordinates_update->proc~ommp_message proc~fmm_coordinates_update->proc~time_pull proc~fmm_coordinates_update->proc~time_push proc~init_as_octatree init_as_octatree proc~fmm_coordinates_update->proc~init_as_octatree proc~free_tree free_tree proc~fmm_coordinates_update->proc~free_tree proc~fmm_coordinates_update->proc~fmm_make_neigh_list proc~fmm_init fmm_init proc~fmm_coordinates_update->proc~fmm_init proc~free_fmm free_fmm proc~fmm_coordinates_update->proc~free_fmm proc~vdw_set_pair->interface~mallocate proc~vdw_set_pair->interface~mfree proc~time_push->proc~fatal_error proc~time_push->proc~mem_stat proc~fmm_error fmm_error proc~init_as_octatree->proc~fmm_error proc~populate_level_list populate_level_list proc~init_as_octatree->proc~populate_level_list proc~populate_leaf_list populate_leaf_list proc~init_as_octatree->proc~populate_leaf_list proc~tree_populate_farnear_lists tree_populate_farnear_lists proc~init_as_octatree->proc~tree_populate_farnear_lists proc~allocate_tree allocate_tree proc~init_as_octatree->proc~allocate_tree proc~free_tree->proc~free_yale_sparse proc~memory_init memory_init 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~chk_free chk_free proc~i_free2->proc~chk_free proc~r_free3->proc~chk_free proc~fmm_make_neigh_list->interface~mallocate proc~fmm_make_neigh_list->interface~mfree proc~fmm_make_neigh_list->proc~compress_list proc~compress_list->interface~mallocate proc~compress_list->interface~mfree proc~r_free2->proc~chk_free proc~l_free1->proc~chk_free proc~l_free2->proc~chk_free proc~cyclic_spline->interface~mallocate proc~cyclic_spline->interface~mfree dgetri dgetri proc~cyclic_spline->dgetri dgemm dgemm proc~cyclic_spline->dgemm dgetrf dgetrf proc~cyclic_spline->dgetrf proc~prepare_fmmm_constants prepare_fmmm_constants proc~fmm_init->proc~prepare_fmmm_constants proc~ntot_sph_harm ntot_sph_harm proc~fmm_init->proc~ntot_sph_harm proc~i_free3->proc~chk_free proc~rotation_matrix->proc~fatal_error proc~i_free1->proc~chk_free proc~r_free1->proc~chk_free proc~r_alloc2->proc~memory_init proc~r_alloc2->proc~chk_alloc proc~mem_stat->proc~memory_init proc~screening_rules->proc~fatal_error proc~compress_data->interface~mallocate 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~l_alloc1->proc~memory_init proc~l_alloc1->proc~chk_alloc proc~nl_init->proc~fatal_error proc~nl_init->interface~mallocate proc~nl_update nl_update proc~nl_init->proc~nl_update proc~make_vscales make_vscales proc~prepare_fmmm_constants->proc~make_vscales proc~make_vcnk make_vcnk proc~prepare_fmmm_constants->proc~make_vcnk proc~make_m2l_ztranslate_coef make_m2l_ztranslate_coef proc~prepare_fmmm_constants->proc~make_m2l_ztranslate_coef proc~nl_update->proc~ommp_message proc~nl_update->proc~time_pull proc~nl_update->proc~reverse_grp_tab proc~nl_update->interface~mfree proc~nl_update->proc~time_push proc~populate_level_list->proc~compress_list proc~tree_populate_farnear_lists->proc~compress_list proc~aggregative_pass aggregative_pass proc~tree_populate_farnear_lists->proc~aggregative_pass proc~allocate_tree->proc~fmm_error proc~allocate_yale_sparse allocate_yale_sparse proc~allocate_tree->proc~allocate_yale_sparse proc~chk_alloc->proc~fatal_error proc~chk_free->proc~fatal_error proc~make_m2l_ztranslate_coef->proc~make_vcnk

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