int appinit(Tcl_Interp *interp)
{
if (Tcl_Init(interp) == TCL_ERROR)
return TCL_ERROR;
#ifdef TK
if (Tk_Init(interp) == TCL_ERROR)
return TCL_ERROR;
#endif
/*
installation of tcl commands
*/
register_tcl_commands(interp);
register_global_variables(interp);
/* evaluate the Tcl initialization script */
char *scriptdir = getenv("ESPRESSO_SCRIPTS");
if (!scriptdir)
scriptdir = get_default_scriptsdir();
/* fprintf(stderr,"Script directory: %s\n", scriptdir);*/
char cwd[1024];
if ((getcwd(cwd, 1024) == NULL) || (chdir(scriptdir) != 0)) {
fprintf(stderr,
"\n\ncould not change to script dir %s, please check ESPRESSO_SCRIPTS.\n\n\n",
scriptdir);
exit(1);
}
if (Tcl_EvalFile(interp, "init.tcl") == TCL_ERROR) {
fprintf(stderr, "\n\nerror in initialization script: %s\n\n\n",
Tcl_GetStringResult(interp));
exit(1);
}
if (chdir(cwd) != 0) {
fprintf(stderr,
"\n\ncould not change back to execution dir %s ????\n\n\n",
cwd);
exit(1);
}
return (TCL_OK);
}
static void init_tcl(Tcl_Interp *interp)
{
char cwd[1024];
char *scriptdir;
/*
installation of tcl commands
*/
/* in cells.c */
REGISTER_COMMAND("cellsystem", tclcommand_cellsystem);
/* in integrate.c */
REGISTER_COMMAND("invalidate_system", tclcommand_invalidate_system);
REGISTER_COMMAND("integrate", tclcommand_integrate);
/* in global.c */
REGISTER_COMMAND("setmd", tclcommand_setmd);
/* in grid.c */
REGISTER_COMMAND("change_volume", tclcommand_change_volume);
/* in global.c */
REGISTER_COMMAND("code_info", tclcommand_code_info);
/* in interaction_data.c */
REGISTER_COMMAND("inter",tclcommand_inter);
/* in particle_data.c */
REGISTER_COMMAND("part",tclcommand_part);
/* in file binaryfile.c */
REGISTER_COMMAND("writemd", tclcommand_writemd);
REGISTER_COMMAND("readmd", tclcommand_readmd);
/* in file statistics.c */
REGISTER_COMMAND("analyze", tclcommand_analyze);
/* in file polymer.c */
REGISTER_COMMAND("polymer", tclcommand_polymer);
REGISTER_COMMAND("counterions", tclcommand_counterions);
REGISTER_COMMAND("salt", tclcommand_salt);
REGISTER_COMMAND("velocities", tclcommand_velocities);
REGISTER_COMMAND("maxwell_velocities", tclcommand_maxwell_velocities);
REGISTER_COMMAND("crosslink", tclcommand_crosslink);
REGISTER_COMMAND("diamond", tclcommand_diamond);
REGISTER_COMMAND("icosaeder", tclcommand_icosaeder);
/* in file imd.c */
REGISTER_COMMAND("imd", tclcommand_imd);
/* in file random.c */
REGISTER_COMMAND("t_random", tclcommand_t_random);
REGISTER_COMMAND("bit_random", tclcommand_bit_random);
/* in file blockfile_tcl.c */
REGISTER_COMMAND("blockfile", tclcommand_blockfile);
/* in constraint.c */
REGISTER_COMMAND("constraint", tclcommand_constraint);
/* in uwerr.c */
REGISTER_COMMAND("uwerr", tclcommand_uwerr);
/* in nemd.c */
REGISTER_COMMAND("nemd", tclcommand_nemd);
/* in thermostat.c */
REGISTER_COMMAND("thermostat", tclcommand_thermostat);
/* in bin.c */
REGISTER_COMMAND("bin", tclcommand_bin);
/* in lb.c */
REGISTER_COMMAND("lbfluid", tclcommand_lbfluid);
REGISTER_COMMAND("lbnode", tclcommand_lbnode);
REGISTER_COMMAND("lbboundary", tclcommand_lbboundary);
/* in utils.h */
REGISTER_COMMAND("replacestdchannel", tclcommand_replacestdchannel);
/* in iccp3m.h */
#ifdef ELECTROSTATICS
#ifdef ELP3M
REGISTER_COMMAND("iccp3m", tclcommand_iccp3m);
#endif
#endif
/* in adresso.h */
REGISTER_COMMAND("adress", tclcommand_adress);
#ifdef ADRESS
/** #ifdef THERMODYNAMIC_FORCE */
REGISTER_COMMAND("thermodynamic_force", tclcommand_thermodynamic_force);
/** #endif */
REGISTER_COMMAND("update_adress_weights", tclcommand_update_adress_weights);
#endif
#ifdef METADYNAMICS
/* in metadynamics.c */
REGISTER_COMMAND("metadynamics", tclcommand_metadynamics);
#endif
#ifdef LB_GPU
/* in lbgpu_cfile.c */
REGISTER_COMMAND("lbnode_exf", tclcommand_lbnode_extforce_gpu);
REGISTER_COMMAND("lbprint", tclcommand_lbprint_gpu);
#endif
#ifdef CUDA
REGISTER_COMMAND("cuda", tclcommand_cuda);
#endif
/* evaluate the Tcl initialization script */
scriptdir = getenv("ESPRESSO_SCRIPTS");
if (!scriptdir)
scriptdir = get_default_scriptsdir();
fprintf(stderr,"%d: Script directory: %s\n", this_node, scriptdir);
if ((getcwd(cwd, 1024) == NULL) || (chdir(scriptdir) != 0)) {
fprintf(stderr,
"\n\ncould not change to script dir %s, please check ESPRESSO_SCRIPTS.\n\n\n",
scriptdir);
exit(-1);
}
if (Tcl_EvalFile(interp, "init.tcl") == TCL_ERROR) {
fprintf(stderr, "\n\nerror in initialization script: %s\n\n\n",
Tcl_GetStringResult(interp));
exit(-1);
}
if (chdir(cwd) != 0) {
fprintf(stderr,
"\n\ncould not change back to execution dir %s ????\n\n\n",
cwd);
exit(-1);
}
}