main Program

Uses

  • program~~main~~UsesGraph program~main main module~m_control_io m_control_io program~main->module~m_control_io module~m_globals m_globals program~main->module~m_globals module~m_logger m_logger program~main->module~m_logger module~m_mc_solver m_mc_solver program~main->module~m_mc_solver module~m_precision m_precision program~main->module~m_precision module~m_setup m_setup program~main->module~m_setup module~m_strings m_strings program~main->module~m_strings module~m_control_io->module~m_globals module~m_control_io->module~m_precision module~m_control_io->module~m_strings module~m_globals->module~m_precision module~m_ia_types m_ia_types module~m_globals->module~m_ia_types module~m_trajectory m_trajectory module~m_globals->module~m_trajectory iso_fortran_env iso_fortran_env module~m_logger->iso_fortran_env module~m_timestamp m_timestamp module~m_logger->module~m_timestamp module~m_mc_solver->module~m_globals module~m_mc_solver->module~m_logger module~m_mc_solver->module~m_precision module~m_mc_solver->module~m_strings module~m_config_io m_config_io module~m_mc_solver->module~m_config_io module~m_constants_math m_constants_math module~m_mc_solver->module~m_constants_math module~m_interaction m_interaction module~m_mc_solver->module~m_interaction module~m_mc_moves m_mc_moves module~m_mc_solver->module~m_mc_moves module~m_nbr_lists m_nbr_lists module~m_mc_solver->module~m_nbr_lists module~m_stats_io m_stats_io module~m_mc_solver->module~m_stats_io module~m_precision->iso_fortran_env module~m_setup->module~m_globals module~m_setup->module~m_logger module~m_setup->module~m_mc_solver module~m_setup->module~m_precision module~m_setup->module~m_config_io module~m_setup->module~m_interaction module~m_ran_num m_ran_num module~m_setup->module~m_ran_num module~m_setup->module~m_stats_io module~m_strings->module~m_precision module~m_config_io->module~m_globals module~m_config_io->module~m_precision module~m_config_io->module~m_strings module~m_constants_math->module~m_precision module~m_ia_types->module~m_precision module~m_interaction->module~m_globals module~m_interaction->module~m_precision module~m_interaction->module~m_constants_math module~m_interaction->module~m_nbr_lists module~m_ia_angle m_ia_angle module~m_interaction->module~m_ia_angle module~m_ia_bond m_ia_bond module~m_interaction->module~m_ia_bond module~m_ia_dihedral m_ia_dihedral module~m_interaction->module~m_ia_dihedral module~m_ia_external m_ia_external module~m_interaction->module~m_ia_external module~m_ia_tether m_ia_tether module~m_interaction->module~m_ia_tether module~m_ia_vdw m_ia_vdw module~m_interaction->module~m_ia_vdw module~m_qsort m_qsort module~m_interaction->module~m_qsort module~m_mc_moves->module~m_globals module~m_mc_moves->module~m_precision module~m_mc_moves->module~m_constants_math module~m_mc_moves->module~m_interaction module~m_mc_moves->module~m_nbr_lists module~m_mc_moves->module~m_ran_num module~m_nbr_lists->module~m_globals module~m_nbr_lists->module~m_precision module~m_table m_table module~m_nbr_lists->module~m_table module~m_vector m_vector module~m_nbr_lists->module~m_vector module~m_ran_num->module~m_precision mkl_vsl mkl_vsl module~m_ran_num->mkl_vsl mkl_vsl_type mkl_vsl_type module~m_ran_num->mkl_vsl_type module~m_stats_io->module~m_globals module~m_stats_io->module~m_precision module~m_stats_io->module~m_strings module~m_stats_io->module~m_constants_math module~m_trajectory->module~m_precision module~m_ia_angle->module~m_precision module~m_ia_angle->module~m_constants_math module~m_ia_angle->module~m_ia_types module~m_spline m_spline module~m_ia_angle->module~m_spline module~m_ia_bond->module~m_precision module~m_ia_bond->module~m_constants_math module~m_ia_bond->module~m_ia_types module~m_ia_bond->module~m_spline module~m_ia_dihedral->module~m_precision module~m_ia_dihedral->module~m_constants_math module~m_ia_dihedral->module~m_ia_types module~m_ia_external->module~m_precision module~m_ia_external->module~m_constants_math module~m_ia_external->module~m_ia_types module~m_ia_tether->module~m_precision module~m_ia_tether->module~m_constants_math module~m_ia_tether->module~m_ia_types module~m_ia_vdw->module~m_precision module~m_ia_vdw->module~m_constants_math module~m_ia_vdw->module~m_ia_types module~m_ia_vdw->module~m_spline module~m_qsort->module~m_precision module~m_table->module~m_precision module~m_table->module~m_vector module~m_vector->module~m_precision module~m_vector->module~m_qsort

Calls

program~~main~~CallsGraph program~main main proc~finish finish program~main->proc~finish proc~mcs_run mcs_run program~main->proc~mcs_run proc~read_control read_control program~main->proc~read_control proc~setup setup program~main->proc~setup proc~str_get_keyval str_get_keyval program~main->proc~str_get_keyval proc~timestring timestring program~main->proc~timestring proc~finish->proc~timestring proc~config_clear config_clear proc~finish->proc~config_clear proc~mcs_finish mcs_finish proc~finish->proc~mcs_finish proc~stats_finish stats_finish proc~finish->proc~stats_finish proc~mcs_run->proc~timestring interface~str_from_num str_from_num proc~mcs_run->interface~str_from_num proc~ia_calc_energy ia_calc_energy proc~mcs_run->proc~ia_calc_energy proc~mcm_crnk mcm_crnk proc~mcs_run->proc~mcm_crnk proc~mcm_dbl_pivot mcm_dbl_pivot proc~mcs_run->proc~mcm_dbl_pivot proc~mcm_dspl mcm_dspl proc~mcs_run->proc~mcm_dspl proc~mcm_pivot mcm_pivot proc~mcs_run->proc~mcm_pivot proc~mcm_res_pivot mcm_res_pivot proc~mcs_run->proc~mcm_res_pivot proc~mcm_sc_crnk mcm_sc_crnk proc~mcs_run->proc~mcm_sc_crnk proc~mcm_sc_pivot mcm_sc_pivot proc~mcs_run->proc~mcm_sc_pivot proc~stats_collect stats_collect proc~mcs_run->proc~stats_collect proc~mcs_run->proc~stats_finish proc~stats_init stats_init proc~mcs_run->proc~stats_init proc~stats_write stats_write proc~mcs_run->proc~stats_write proc~stats_write_eql stats_write_eql proc~mcs_run->proc~stats_write_eql proc~to_com to_com proc~mcs_run->proc~to_com proc~traj_append_frame trajectory_t%traj_append_frame proc~mcs_run->proc~traj_append_frame proc~write_dump write_dump proc~mcs_run->proc~write_dump proc~read_control->proc~str_get_keyval proc~readline readline proc~read_control->proc~readline proc~str_to_d str_to_d proc~read_control->proc~str_to_d proc~str_to_i str_to_i proc~read_control->proc~str_to_i proc~ia_setup ia_setup proc~setup->proc~ia_setup proc~init_stream init_stream proc~setup->proc~init_stream proc~mcs_init mcs_init proc~setup->proc~mcs_init proc~read_config read_config proc~setup->proc~read_config proc~read_dump read_dump proc~setup->proc~read_dump proc~read_tabulated read_tabulated proc~setup->proc~read_tabulated proc~save_seed save_seed proc~setup->proc~save_seed proc~setup->proc~stats_init proc~traj_create trajectory_t%traj_create proc~setup->proc~traj_create proc~ia_calc_angle_energy ia_calc_angle_energy proc~ia_calc_energy->proc~ia_calc_angle_energy proc~ia_calc_bond_energy ia_calc_bond_energy proc~ia_calc_energy->proc~ia_calc_bond_energy proc~ia_calc_dihedral_energy ia_calc_dihedral_energy proc~ia_calc_energy->proc~ia_calc_dihedral_energy proc~ia_calc_external_energy ia_calc_external_energy proc~ia_calc_energy->proc~ia_calc_external_energy proc~ia_calc_tether_energy ia_calc_tether_energy proc~ia_calc_energy->proc~ia_calc_tether_energy proc~ia_calc_vdw_energy ia_calc_vdw_energy proc~ia_calc_energy->proc~ia_calc_vdw_energy proc~ia_calc_vdw_energy_vl ia_calc_vdw_energy_vl proc~ia_calc_energy->proc~ia_calc_vdw_energy_vl proc~ia_angle_setup ia_angle_setup proc~ia_setup->proc~ia_angle_setup proc~ia_bond_setup ia_bond_setup proc~ia_setup->proc~ia_bond_setup proc~ia_dihedral_setup ia_dihedral_setup proc~ia_setup->proc~ia_dihedral_setup proc~ia_external_setup ia_external_setup proc~ia_setup->proc~ia_external_setup proc~ia_tether_setup ia_tether_setup proc~ia_setup->proc~ia_tether_setup proc~ia_vdw_setup ia_vdw_setup proc~ia_setup->proc~ia_vdw_setup vslnewstream vslnewstream proc~init_stream->vslnewstream proc~mcm_crnk->proc~to_com proc~get_iuniform get_iuniform proc~mcm_crnk->proc~get_iuniform proc~get_uniform get_uniform proc~mcm_crnk->proc~get_uniform proc~ia_calc_atm_angle_energy ia_calc_atm_angle_energy proc~mcm_crnk->proc~ia_calc_atm_angle_energy proc~ia_calc_atm_dihedral_energy ia_calc_atm_dihedral_energy proc~mcm_crnk->proc~ia_calc_atm_dihedral_energy proc~ia_calc_atm_tether_energy ia_calc_atm_tether_energy proc~mcm_crnk->proc~ia_calc_atm_tether_energy proc~ia_calc_atm_vdw_energy ia_calc_atm_vdw_energy proc~mcm_crnk->proc~ia_calc_atm_vdw_energy proc~ia_calc_atm_vdw_energy_vl ia_calc_atm_vdw_energy_vl proc~mcm_crnk->proc~ia_calc_atm_vdw_energy_vl proc~mcm_crnk->proc~ia_calc_external_energy proc~ransphere ransphere proc~mcm_crnk->proc~ransphere proc~mcm_dbl_pivot->proc~to_com proc~mcm_dbl_pivot->proc~get_iuniform proc~mcm_dbl_pivot->proc~get_uniform proc~mcm_dbl_pivot->proc~ia_calc_atm_angle_energy proc~mcm_dbl_pivot->proc~ia_calc_atm_dihedral_energy proc~mcm_dbl_pivot->proc~ia_calc_external_energy proc~mcm_dbl_pivot->proc~ia_calc_vdw_energy proc~mcm_dspl->proc~to_com proc~mcm_dspl->proc~get_iuniform proc~mcm_dspl->proc~get_uniform proc~mcm_dspl->proc~ia_calc_atm_angle_energy proc~ia_calc_atm_bond_energy ia_calc_atm_bond_energy proc~mcm_dspl->proc~ia_calc_atm_bond_energy proc~mcm_dspl->proc~ia_calc_atm_dihedral_energy proc~mcm_dspl->proc~ia_calc_atm_tether_energy proc~mcm_dspl->proc~ia_calc_atm_vdw_energy proc~mcm_dspl->proc~ia_calc_atm_vdw_energy_vl proc~mcm_dspl->proc~ia_calc_external_energy proc~mcm_dspl->proc~ransphere proc~mcm_pivot->proc~to_com proc~mcm_pivot->proc~get_iuniform proc~mcm_pivot->proc~get_uniform proc~mcm_pivot->proc~ia_calc_atm_angle_energy proc~mcm_pivot->proc~ia_calc_atm_dihedral_energy proc~mcm_pivot->proc~ia_calc_external_energy proc~mcm_pivot->proc~ia_calc_vdw_energy proc~mcm_pivot->proc~ransphere proc~mcm_res_pivot->proc~to_com proc~mcm_res_pivot->proc~get_iuniform proc~mcm_res_pivot->proc~get_uniform proc~mcm_res_pivot->proc~ia_calc_atm_angle_energy proc~mcm_res_pivot->proc~ia_calc_atm_dihedral_energy proc~mcm_res_pivot->proc~ia_calc_external_energy proc~mcm_res_pivot->proc~ia_calc_vdw_energy proc~mcm_sc_crnk->proc~to_com proc~mcm_sc_crnk->proc~get_iuniform proc~mcm_sc_crnk->proc~get_uniform proc~mcm_sc_crnk->proc~ia_calc_atm_angle_energy proc~mcm_sc_crnk->proc~ia_calc_atm_dihedral_energy proc~mcm_sc_crnk->proc~ia_calc_atm_tether_energy proc~mcm_sc_crnk->proc~ia_calc_atm_vdw_energy proc~mcm_sc_crnk->proc~ia_calc_atm_vdw_energy_vl proc~mcm_sc_crnk->proc~ia_calc_external_energy proc~mcm_sc_crnk->proc~ransphere proc~mcm_sc_pivot->proc~to_com proc~mcm_sc_pivot->proc~get_iuniform proc~mcm_sc_pivot->proc~get_uniform proc~mcm_sc_pivot->proc~ia_calc_atm_angle_energy proc~mcm_sc_pivot->proc~ia_calc_atm_dihedral_energy proc~mcm_sc_pivot->proc~ia_calc_external_energy proc~mcm_sc_pivot->proc~ia_calc_vdw_energy proc~mcm_sc_pivot->proc~ransphere none~delete itable_t%delete proc~mcs_finish->none~delete proc~verlet_delete verlet_delete proc~mcs_finish->proc~verlet_delete proc~atan_build atan_build proc~mcs_init->proc~atan_build proc~atbo_build atbo_build proc~mcs_init->proc~atbo_build proc~atdh_build atdh_build proc~mcs_init->proc~atdh_build proc~exat_build exat_build proc~mcs_init->proc~exat_build proc~verlet_init verlet_init proc~mcs_init->proc~verlet_init proc~read_config->proc~readline proc~read_config->proc~str_to_i proc~str_split str_split proc~read_config->proc~str_split proc~str_startswith str_startswith proc~read_config->proc~str_startswith proc~read_tabulated->proc~readline proc~read_tabulated->proc~str_to_i proc~read_tabulated->proc~str_split proc~str_is_comment str_is_comment proc~readline->proc~str_is_comment proc~str_strip_comment str_strip_comment proc~readline->proc~str_strip_comment proc~stats_init->proc~stats_write proc~stats_init->proc~stats_write_eql proc~traj_write_frame trajectory_t%traj_write_frame proc~traj_append_frame->proc~traj_write_frame proc~ivector_delete ivector_t%ivector_delete none~delete->proc~ivector_delete none~shrink_to_fit itable_t%shrink_to_fit proc~atan_build->none~shrink_to_fit proc~itbl_init itbl_init proc~atan_build->proc~itbl_init proc~ivector_append ivector_t%ivector_append proc~atan_build->proc~ivector_append proc~atan_build->proc~ivector_delete proc~ivector_get_val ivector_t%ivector_get_val proc~atan_build->proc~ivector_get_val proc~ivector_init ivector_init proc~atan_build->proc~ivector_init proc~ivector_sort ivector_t%ivector_sort proc~atan_build->proc~ivector_sort proc~atbo_build->none~shrink_to_fit proc~atbo_build->proc~itbl_init proc~atbo_build->proc~ivector_append proc~atbo_build->proc~ivector_delete proc~atbo_build->proc~ivector_get_val proc~atbo_build->proc~ivector_init proc~atbo_build->proc~ivector_sort proc~atdh_build->none~shrink_to_fit proc~atdh_build->proc~itbl_init proc~atdh_build->proc~ivector_append proc~atdh_build->proc~ivector_delete proc~atdh_build->proc~ivector_get_val proc~atdh_build->proc~ivector_init proc~atdh_build->proc~ivector_sort proc~exat_build->none~delete none~get_row itable_t%get_row proc~exat_build->none~get_row proc~exat_build->none~shrink_to_fit proc~exat_build->proc~itbl_init proc~exat_build->proc~ivector_append proc~ivector_clear ivector_t%ivector_clear proc~exat_build->proc~ivector_clear proc~exat_build->proc~ivector_get_val proc~exat_build->proc~ivector_init proc~ivector_unique ivector_t%ivector_unique proc~exat_build->proc~ivector_unique virnguniform virnguniform proc~get_iuniform->virnguniform vdrnguniform vdrnguniform proc~get_uniform->vdrnguniform proc~ang_tab_set ang_tab_set proc~ia_angle_setup->proc~ang_tab_set proc~bond_kg_set bond_kg_set proc~ia_bond_setup->proc~bond_kg_set proc~bond_tab_set bond_tab_set proc~ia_bond_setup->proc~bond_tab_set proc~ia_get_angle_energy ia_get_angle_energy proc~ia_calc_angle_energy->proc~ia_get_angle_energy proc~ia_calc_atm_angle_energy->none~get_row proc~ia_calc_atm_angle_energy->proc~ia_get_angle_energy proc~ia_calc_atm_bond_energy->none~get_row proc~ia_get_bond_energy ia_get_bond_energy proc~ia_calc_atm_bond_energy->proc~ia_get_bond_energy proc~ia_calc_atm_dihedral_energy->none~get_row proc~ia_get_dihedral_energy ia_get_dihedral_energy proc~ia_calc_atm_dihedral_energy->proc~ia_get_dihedral_energy proc~ia_get_tether_energy ia_get_tether_energy proc~ia_calc_atm_tether_energy->proc~ia_get_tether_energy none~is_in itable_t%is_in proc~ia_calc_atm_vdw_energy->none~is_in proc~ia_get_vdw_energy ia_get_vdw_energy proc~ia_calc_atm_vdw_energy->proc~ia_get_vdw_energy proc~ia_calc_atm_vdw_energy_vl->none~get_row proc~ia_calc_atm_vdw_energy_vl->proc~ia_get_vdw_energy proc~verlet_build verlet_build proc~ia_calc_atm_vdw_energy_vl->proc~verlet_build proc~ia_calc_bond_energy->proc~ia_get_bond_energy proc~ia_calc_dihedral_energy->proc~ia_get_dihedral_energy proc~ia_get_external_energy ia_get_external_energy proc~ia_calc_external_energy->proc~ia_get_external_energy proc~ia_calc_tether_energy->proc~ia_get_tether_energy proc~ia_calc_vdw_energy->none~is_in proc~dqsort dqsort proc~ia_calc_vdw_energy->proc~dqsort proc~ia_calc_vdw_energy->proc~ia_get_vdw_energy proc~ia_calc_vdw_energy_vl->none~get_row proc~ia_calc_vdw_energy_vl->proc~ia_get_vdw_energy proc~ia_calc_vdw_energy_vl->proc~verlet_build proc~vdw_gaussian_set vdw_gaussian_set proc~ia_vdw_setup->proc~vdw_gaussian_set proc~vdw_lj_set vdw_lj_set proc~ia_vdw_setup->proc~vdw_lj_set proc~vdw_tab_set vdw_tab_set proc~ia_vdw_setup->proc~vdw_tab_set proc~get_rv_uniform get_rv_uniform proc~ransphere->proc~get_rv_uniform proc~str_compact str_compact proc~str_split->proc~str_compact proc~verlet_delete->none~delete proc~verlet_init->proc~itbl_init proc~ivector_get_data ivector_t%ivector_get_data none~get_row->proc~ivector_get_data none~is_in->proc~ivector_get_val proc~ivector_shrink_to_fit ivector_t%ivector_shrink_to_fit none~shrink_to_fit->proc~ivector_shrink_to_fit proc~spline_cubic_set spline_cubic_set proc~ang_tab_set->proc~spline_cubic_set proc~bond_tab_set->proc~spline_cubic_set proc~get_rv_uniform->vdrnguniform proc~ang_cos ang_cos proc~ia_get_angle_energy->proc~ang_cos proc~ang_harm ang_harm proc~ia_get_angle_energy->proc~ang_harm proc~ang_tab ang_tab proc~ia_get_angle_energy->proc~ang_tab proc~bond_fene bond_fene proc~ia_get_bond_energy->proc~bond_fene proc~bond_harm bond_harm proc~ia_get_bond_energy->proc~bond_harm proc~bond_kg bond_kg proc~ia_get_bond_energy->proc~bond_kg proc~bond_tab bond_tab proc~ia_get_bond_energy->proc~bond_tab proc~teth_fene teth_fene proc~ia_get_tether_energy->proc~teth_fene proc~teth_harm teth_harm proc~ia_get_tether_energy->proc~teth_harm proc~vdw_gaussian vdw_gaussian proc~ia_get_vdw_energy->proc~vdw_gaussian proc~vdw_hs vdw_hs proc~ia_get_vdw_energy->proc~vdw_hs proc~vdw_lj vdw_lj proc~ia_get_vdw_energy->proc~vdw_lj proc~vdw_sqwell vdw_sqwell proc~ia_get_vdw_energy->proc~vdw_sqwell proc~vdw_tab vdw_tab proc~ia_get_vdw_energy->proc~vdw_tab proc~itbl_init->proc~ivector_init proc~iqsort iqsort proc~ivector_sort->proc~iqsort proc~ivector_unique->proc~iqsort proc~vdw_tab_set->proc~spline_cubic_set proc~verlet_build->none~is_in proc~verlet_build->none~shrink_to_fit none~append itable_t%append proc~verlet_build->none~append none~clear~2 itable_t%clear proc~verlet_build->none~clear~2 none~append->proc~ivector_append none~clear~2->proc~ivector_clear proc~spline_cubic_val spline_cubic_val proc~ang_tab->proc~spline_cubic_val proc~spline_linear_val spline_linear_val proc~ang_tab->proc~spline_linear_val proc~bond_tab->proc~spline_cubic_val proc~bond_tab->proc~spline_linear_val proc~penta penta proc~spline_cubic_set->proc~penta proc~vdw_tab->proc~spline_cubic_val proc~vdw_tab->proc~spline_linear_val proc~r8vec_bracket r8vec_bracket proc~spline_cubic_val->proc~r8vec_bracket proc~spline_linear_val->proc~r8vec_bracket

Variables

Type Attributes Name Initial
character(len=64) :: cla
character(len=:), allocatable :: key
character(len=:), allocatable :: val
character(len=:), allocatable :: fn_control
character(len=512) :: msg
real(kind=rp) :: t_start
real(kind=rp) :: t_end
integer :: ierr
integer :: icla
integer :: ncla