thermostat_tcl.c File Reference

#include <math.h>
#include "utils.h"
#include "communication.h"
#include "lattice.h"
#include "npt.h"
#include "ghmc.h"
#include "particle_data.h"
#include "parser.h"
#include "random.h"
#include "global.h"
#include "integrate.h"
#include "cells.h"
#include "lb.h"
#include "dpd.h"
#include "dpd_tcl.h"
#include "virtual_sites.h"
#include "thermostat_tcl.h"

Include dependency graph for thermostat_tcl.c:

Go to the source code of this file.

Functions
int	tclcommand_thermostat_parse_off (Tcl_Interp *interp, int argc, char **argv)
int	tclcommand_thermostat_parse_langevin (Tcl_Interp *interp, int argc, char **argv)
int	tclcommand_thermostat_parse_npt_isotropic (Tcl_Interp *interp, int argc, char **argv)
int	tclcommand_thermostat_parse_ghmc (Tcl_Interp *interp, int argc, char **argv)
int	tclcommand_thermostat_print_all (Tcl_Interp *interp)
int	tclcommand_thermostat_print_usage (Tcl_Interp *interp, int argc, char **argv)
int	tclcommand_thermostat (ClientData data, Tcl_Interp *interp, int argc, char **argv)
	Implementation of the tcl command tclcommand_thermostat.
int	tclcommand_thermostat_parse_lb (Tcl_Interp *interp, int argc, char **argv)

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Function Documentation

int tclcommand_thermostat	(	ClientData	data,
		Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)

Implementation of the tcl command tclcommand_thermostat.

This function allows to change the used thermostat and to set its parameters.

Definition at line 321 of file thermostat_tcl.c.

References ARG1_IS_S, err, gather_runtime_errors(), tclcommand_thermostat_parse_dpd(), tclcommand_thermostat_parse_ghmc(), tclcommand_thermostat_parse_inter_dpd(), tclcommand_thermostat_parse_langevin(), tclcommand_thermostat_parse_lb(), tclcommand_thermostat_parse_npt_isotropic(), tclcommand_thermostat_parse_off(), tclcommand_thermostat_print_all(), tclcommand_thermostat_print_usage(), THERMO_TRACE, and this_node.

Referenced by register_tcl_commands().

int tclcommand_thermostat_parse_ghmc	(	Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)

Definition at line 146 of file thermostat_tcl.c.

References ARG_IS_D, ARG_IS_I, ARG_IS_S, FIELD_GHMC_FLIP, FIELD_GHMC_NMD, FIELD_GHMC_PHI, FIELD_GHMC_SCALE, FIELD_TEMPERATURE, FIELD_THERMO_SWITCH, ghmc_mflip, GHMC_MFLIP_OFF, GHMC_MFLIP_ON, GHMC_MFLIP_RAND, ghmc_nmd, ghmc_phi, ghmc_tscale, GHMC_TSCALE_OFF, GHMC_TSCALE_ON, mpi_bcast_parameter(), temperature, THERMO_GHMC, and thermo_switch.

Referenced by tclcommand_thermostat().

int tclcommand_thermostat_parse_langevin	(	Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)

Definition at line 84 of file thermostat_tcl.c.

References ARG_IS_D, FIELD_LANGEVIN_GAMMA, FIELD_TEMPERATURE, FIELD_THERMO_SWITCH, langevin_gamma, mpi_bcast_parameter(), temperature, THERMO_LANGEVIN, and thermo_switch.

Referenced by tclcommand_thermostat().

int tclcommand_thermostat_parse_lb	(	Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)

Definition at line 369 of file thermostat_tcl.c.

References ARG_IS_D, FIELD_TEMPERATURE, FIELD_THERMO_SWITCH, mpi_bcast_parameter(), temperature, THERMO_LB, and thermo_switch.

Referenced by tclcommand_thermostat().

int tclcommand_thermostat_parse_npt_isotropic	(	Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)

Definition at line 117 of file thermostat_tcl.c.

References ARG_IS_D, FIELD_NPTISO_G0, FIELD_NPTISO_GV, FIELD_TEMPERATURE, FIELD_THERMO_SWITCH, mpi_bcast_parameter(), nptiso_gamma0, nptiso_gammav, temperature, THERMO_NPT_ISO, and thermo_switch.

Referenced by tclcommand_thermostat().

int tclcommand_thermostat_parse_off	(	Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)

Definition at line 45 of file thermostat_tcl.c.

References dpd_switch_off(), FIELD_GHMC_FLIP, FIELD_GHMC_NMD, FIELD_GHMC_PHI, FIELD_GHMC_SCALE, FIELD_LANGEVIN_GAMMA, FIELD_NPTISO_G0, FIELD_NPTISO_GV, FIELD_TEMPERATURE, FIELD_THERMO_SWITCH, ghmc_mflip, GHMC_MFLIP_OFF, ghmc_nmd, ghmc_phi, ghmc_tscale, GHMC_TSCALE_OFF, inter_dpd_switch_off(), langevin_gamma, mpi_bcast_parameter(), nptiso_gamma0, nptiso_gammav, temperature, THERMO_OFF, and thermo_switch.

Referenced by tclcommand_thermostat().

int tclcommand_thermostat_print_all

(

Tcl_Interp *

interp

)

Definition at line 215 of file thermostat_tcl.c.

References ghmc_mflip, GHMC_MFLIP_OFF, GHMC_MFLIP_ON, GHMC_MFLIP_RAND, ghmc_nmd, ghmc_phi, ghmc_tscale, GHMC_TSCALE_ON, langevin_gamma, nptiso_gamma0, nptiso_gammav, tclcommand_thermostat_parse_and_print_dpd(), temperature, THERMO_DPD, THERMO_GHMC, THERMO_INTER_DPD, THERMO_LANGEVIN, THERMO_LB, THERMO_NPT_ISO, THERMO_OFF, and thermo_switch.

Referenced by tclcommand_thermostat().

int tclcommand_thermostat_print_usage	(	Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)

Definition at line 300 of file thermostat_tcl.c.

References tclcommand_thermostat_print_usage_dpd().

Referenced by tclcommand_thermostat().