dpd_tcl.h File Reference

#include "parser.h"

Include dependency graph for dpd_tcl.h:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Functions
int	tclcommand_thermostat_parse_dpd (Tcl_Interp *interp, int argc, char **argv)
void	tclcommand_thermostat_parse_and_print_dpd (Tcl_Interp *interp)
void	tclcommand_thermostat_print_usage_dpd (Tcl_Interp *interp, int argc, char **argv)
int	tclprint_to_result_inter_dpdIA (Tcl_Interp *interp, int i, int j)
int	tclcommand_thermostat_parse_inter_dpd (Tcl_Interp *interp, int argc, char **argv)
int	tclcommand_inter_parse_inter_dpd (Tcl_Interp *interp, int part_type_a, int part_type_b, int argc, char **argv)

---

Function Documentation

int tclcommand_inter_parse_inter_dpd	(	Tcl_Interp *	interp,
		int	part_type_a,
		int	part_type_b,
		int	argc,
		char **	argv
	)

Definition at line 276 of file dpd_tcl.c.

References ARG_IS_D, ARG_IS_I, ES_ERROR, inter_dpd_init(), inter_dpd_set_params(), and temperature.

Referenced by tclcommand_inter_parse_non_bonded().

void tclcommand_thermostat_parse_and_print_dpd

(

Tcl_Interp *

interp

)

Definition at line 185 of file dpd_tcl.c.

References dpd_gamma, dpd_r_cut, dpd_tgamma, dpd_tr_cut, dpd_twf, dpd_wf, and temperature.

Referenced by tclcommand_thermostat_print_all().

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

Definition at line 32 of file dpd_tcl.c.

References ARG0_IS_D, ARG0_IS_S, ARG1_IS_I, ARG_IS_D, dpd_gamma, dpd_r_cut, dpd_tgamma, dpd_tr_cut, dpd_twf, dpd_wf, FIELD_DPD_GAMMA, FIELD_DPD_RCUT, FIELD_DPD_TGAMMA, FIELD_DPD_TRCUT, FIELD_DPD_TWF, FIELD_DPD_WF, FIELD_TEMPERATURE, FIELD_THERMO_SWITCH, mpi_bcast_parameter(), temperature, THERMO_DPD, and thermo_switch.

Referenced by tclcommand_thermostat().

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

Definition at line 251 of file dpd_tcl.c.

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

Referenced by tclcommand_thermostat().

void tclcommand_thermostat_print_usage_dpd	(	Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)

Definition at line 214 of file dpd_tcl.c.

Referenced by tclcommand_thermostat_print_usage().

int tclprint_to_result_inter_dpdIA	(	Tcl_Interp *	interp,
		int	i,
		int	j
	)

Definition at line 225 of file dpd_tcl.c.

References IA_parameters::dpd_gamma, IA_parameters::dpd_r_cut, IA_parameters::dpd_tgamma, IA_parameters::dpd_tr_cut, IA_parameters::dpd_twf, IA_parameters::dpd_wf, and get_ia_param().

Referenced by tclprint_to_result_NonbondedIA().