NAMD
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#include "InfoStream.h"
#include "BackEnd.h"
#include "ScriptTcl.h"
#include "Broadcasts.h"
#include "ConfigList.h"
#include "Node.h"
#include "PDB.h"
#include "WorkDistrib.h"
#include "NamdState.h"
#include "Output.h"
#include "Controller.h"
#include "SimParameters.h"
#include "Thread.h"
#include "ProcessorPrivate.h"
#include "PatchMgr.h"
#include "PatchMap.h"
#include "Measure.h"
#include "colvarmodule.h"
#include "colvarscript.h"
#include "DumpBench.h"
#include <errno.h>
#include <stdio.h>
#include <ctype.h>
#include <strings.h>
#include "qd.h"
#include <tcl.h>
#include "TclCommands.h"
#include "DataExchanger.h"
#include "Debug.h"
#include "molfile_plugin.h"
#include "libmolfile_plugin.h"
#include "ComputeConsForceMsgs.h"
Go to the source code of this file.
Macros | |
#define | MIN_DEBUG_LEVEL 4 |
#define | CHECK_REPLICA(REP) |
#define | DEG2RAD 3.14159625359/180.0 |
#define | UNITCELLSLOP 0.0001 |
Functions | |
static int | register_cb (void *v, vmdplugin_t *p) |
static int | atoBool (const char *s) |
int | tcl_run_colvarscript_command (ClientData clientData, Tcl_Interp *interp_in, int objc, Tcl_Obj *const objv[]) |
static int | replica_hash (const char *key) |
void | read_binary_coors (char *fname, PDB *pdbobj) |
static int | get_lattice_from_ts (Lattice *lattice, const molfile_timestep_t *ts) |
void | newhandle_msg (void *vdata, void *v, const char *msg) |
void | newhandle_msg_ex (void *vdata, void *v, const char *msg, int prepend, int newline) |
int | psfgen_static_init (Tcl_Interp *) |
int | eabf_static_init (Tcl_Interp *) |
Variables | |
static molfile_plugin_t * | dcdplugin |
static int | numatoms |
static void * | filehandle |
static float * | coords |
static Vector * | vcoords |
#define CHECK_REPLICA | ( | REP | ) |
Definition at line 562 of file ScriptTcl.C.
#define DEG2RAD 3.14159625359/180.0 |
Definition at line 1761 of file ScriptTcl.C.
Referenced by get_lattice_from_ts().
#define MIN_DEBUG_LEVEL 4 |
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 49 of file ScriptTcl.C.
#define UNITCELLSLOP 0.0001 |
Definition at line 1762 of file ScriptTcl.C.
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Definition at line 967 of file ScriptTcl.C.
int eabf_static_init | ( | Tcl_Interp * | ) |
Definition at line 179 of file eabfTcl.C.
References Eabf_Init().
Referenced by ScriptTcl::ScriptTcl(), and ScriptTcl::tclsh().
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Definition at line 1764 of file ScriptTcl.C.
References A, B, DEG2RAD, Lattice::set(), Vector::x, Vector::y, and Vector::z.
Definition at line 2088 of file ScriptTcl.C.
Definition at line 2092 of file ScriptTcl.C.
int psfgen_static_init | ( | Tcl_Interp * | ) |
Referenced by ScriptTcl::ScriptTcl(), and ScriptTcl::tclsh().
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 34 of file NamdOneTools.C.
References PDB::num_atoms(), read_binary_file(), and PDB::set_all_positions().
Referenced by NamdState::loadStructure().
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Definition at line 1581 of file ScriptTcl.C.
int tcl_run_colvarscript_command | ( | ClientData | clientData, |
Tcl_Interp * | interp_in, | ||
int | objc, | ||
Tcl_Obj *const | objv[] | ||
) |
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Definition at line 66 of file ScriptTcl.C.
Referenced by Tcl_loadCoords().
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Definition at line 55 of file ScriptTcl.C.
Referenced by register_cb().
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Definition at line 65 of file ScriptTcl.C.
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Definition at line 64 of file ScriptTcl.C.
Referenced by NamdState::loadStructure(), rescale_nonperiodic_cell(), and spatial_hashing().
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Definition at line 67 of file ScriptTcl.C.