qm_helper_init_vdw_prm Subroutine

public subroutine qm_helper_init_vdw_prm(qm, prmfile)

Uses

  • proc~~qm_helper_init_vdw_prm~~UsesGraph proc~qm_helper_init_vdw_prm qm_helper_init_vdw_prm module~mod_io mod_io proc~qm_helper_init_vdw_prm->module~mod_io module~mod_constants mod_constants proc~qm_helper_init_vdw_prm->module~mod_constants module~mod_utils mod_utils proc~qm_helper_init_vdw_prm->module~mod_utils module~mod_prm mod_prm proc~qm_helper_init_vdw_prm->module~mod_prm module~mod_io->module~mod_constants iso_c_binding iso_c_binding module~mod_constants->iso_c_binding module~mod_utils->module~mod_constants module~mod_memory mod_memory module~mod_utils->module~mod_memory module~mod_prm->module~mod_io module~mod_prm->module~mod_constants module~mod_prm->module~mod_utils module~mod_electrostatics mod_electrostatics module~mod_prm->module~mod_electrostatics module~mod_topology mod_topology module~mod_prm->module~mod_topology module~mod_prm->module~mod_memory module~mod_bonded mod_bonded module~mod_prm->module~mod_bonded module~mod_electrostatics->module~mod_io module~mod_electrostatics->module~mod_constants module~mod_electrostatics->module~mod_topology module~mod_electrostatics->module~mod_memory 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~fmmlib_interface fmmlib_interface module~mod_electrostatics->module~fmmlib_interface module~mod_topology->module~mod_memory module~mod_topology->module~mod_adjacency_mat module~mod_memory->module~mod_io module~mod_memory->module~mod_constants module~mod_memory->iso_c_binding module~mod_bonded->module~mod_io module~mod_bonded->module~mod_topology module~mod_bonded->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~fmmlib_interface->module~mod_constants module~mod_tree mod_tree module~fmmlib_interface->module~mod_tree module~mod_ribtree mod_ribtree module~fmmlib_interface->module~mod_ribtree module~mod_harmonics mod_harmonics module~fmmlib_interface->module~mod_harmonics module~mod_fmm_utils mod_fmm_utils module~fmmlib_interface->module~mod_fmm_utils module~mod_fmm mod_fmm module~fmmlib_interface->module~mod_fmm module~mod_octatree mod_octatree module~fmmlib_interface->module~mod_octatree module~mod_tree->module~mod_constants module~mod_tree->module~mod_adjacency_mat module~mod_tree->module~mod_fmm_utils module~mod_ribtree->module~mod_constants module~mod_ribtree->module~mod_profiling 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_fmm_utils->module~mod_constants module~mod_fmm->module~mod_constants module~mod_fmm->module~mod_tree module~mod_fmm->module~mod_harmonics module~mod_fmm->module~mod_fmm_utils module~mod_octatree->module~mod_constants module~mod_octatree->module~mod_profiling module~mod_octatree->module~mod_tree module~mod_octatree->module~mod_fmm_utils

Assign vdw parameters of the QM part from attype and prm file

Arguments

Type IntentOptional Attributes Name
type(ommp_qm_helper), intent(inout) :: qm
character(len=*), intent(in) :: prmfile

Calls

proc~~qm_helper_init_vdw_prm~~CallsGraph proc~qm_helper_init_vdw_prm qm_helper_init_vdw_prm proc~fatal_error fatal_error proc~qm_helper_init_vdw_prm->proc~fatal_error proc~str_to_lower str_to_lower proc~qm_helper_init_vdw_prm->proc~str_to_lower proc~str_uncomment str_uncomment proc~qm_helper_init_vdw_prm->proc~str_uncomment proc~large_file_read large_file_read proc~qm_helper_init_vdw_prm->proc~large_file_read proc~assign_vdw assign_vdw proc~qm_helper_init_vdw_prm->proc~assign_vdw proc~ommp_message ommp_message 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~assign_vdw->proc~fatal_error proc~read_atom_cards read_atom_cards proc~assign_vdw->proc~read_atom_cards proc~tokenize tokenize proc~assign_vdw->proc~tokenize interface~mallocate mallocate proc~assign_vdw->interface~mallocate proc~isreal isreal proc~assign_vdw->proc~isreal proc~isint isint proc~assign_vdw->proc~isint proc~vdw_init vdw_init proc~assign_vdw->proc~vdw_init proc~vdw_set_pair vdw_set_pair proc~assign_vdw->proc~vdw_set_pair interface~mfree mfree proc~assign_vdw->interface~mfree proc~read_atom_cards->proc~fatal_error proc~read_atom_cards->proc~tokenize proc~read_atom_cards->interface~mallocate proc~read_atom_cards->proc~isint proc~read_atom_cards->interface~mfree proc~count_substr_occurence count_substr_occurence proc~read_atom_cards->proc~count_substr_occurence proc~close_output->proc~ommp_message 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_alloc1 r_alloc1 interface~mallocate->proc~r_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~vdw_init->proc~fatal_error proc~vdw_init->interface~mallocate proc~nl_init nl_init proc~vdw_init->proc~nl_init proc~vdw_set_pair->interface~mallocate proc~vdw_set_pair->interface~mfree 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~r_free1->proc~chk_free proc~chk_alloc chk_alloc proc~r_alloc3->proc~chk_alloc proc~memory_init memory_init 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_alloc1->proc~chk_alloc proc~r_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~nl_init->proc~fatal_error proc~nl_init->interface~mallocate proc~nl_update nl_update proc~nl_init->proc~nl_update 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~chk_alloc->proc~fatal_error proc~nl_update->proc~ommp_message proc~nl_update->interface~mfree proc~time_push time_push proc~nl_update->proc~time_push proc~time_pull time_pull proc~nl_update->proc~time_pull proc~reverse_grp_tab reverse_grp_tab proc~nl_update->proc~reverse_grp_tab proc~time_push->proc~fatal_error proc~mem_stat mem_stat proc~time_push->proc~mem_stat proc~time_pull->proc~fatal_error proc~time_pull->proc~ommp_message proc~time_pull->proc~mem_stat proc~reverse_grp_tab->interface~mallocate proc~reverse_grp_tab->interface~mfree proc~compress_list compress_list proc~reverse_grp_tab->proc~compress_list proc~mem_stat->proc~memory_init proc~compress_list->interface~mallocate proc~compress_list->interface~mfree

Called by

proc~~qm_helper_init_vdw_prm~~CalledByGraph proc~qm_helper_init_vdw_prm qm_helper_init_vdw_prm proc~ommp_create_link_atom ommp_create_link_atom proc~ommp_create_link_atom->proc~qm_helper_init_vdw_prm proc~c_ommp_qm_helper_init_vdw_prm C_ommp_qm_helper_init_vdw_prm proc~c_ommp_qm_helper_init_vdw_prm->proc~qm_helper_init_vdw_prm proc~c_ommp_create_link_atom C_ommp_create_link_atom proc~c_ommp_create_link_atom->proc~ommp_create_link_atom

Contents