NAMD
|
#include "InfoStream.h"
#include "memusage.h"
#include "Node.h"
#include "Molecule.h"
#include "SimParameters.h"
#include "Controller.h"
#include "ReductionMgr.h"
#include "CollectionMaster.h"
#include "Output.h"
#include "strlib.h"
#include "BroadcastObject.h"
#include "NamdState.h"
#include "ScriptTcl.h"
#include "Broadcasts.h"
#include "LdbCoordinator.h"
#include "Thread.h"
#include <math.h>
#include <signal.h>
#include "NamdOneTools.h"
#include "PatchMap.h"
#include "PatchMap.inl"
#include "Random.h"
#include "imd.h"
#include "IMDOutput.h"
#include "BackEnd.h"
#include <fstream>
#include <iomanip>
#include <errno.h>
#include "qd.h"
#include "ComputeNonbondedMICKernel.h"
#include "Debug.h"
Go to the source code of this file.
Classes | |
class | PressureProfileReduction |
struct | minpoint |
Macros | |
#define | cbrt(x) pow(x,(double)(1.0/3.0)) |
#define | MIN_DEBUG_LEVEL 3 |
#define | XXXBIGREAL 1.0e32 |
#define | AVGXY(T) |
#define | CALCULATE |
#define | MOVETO(X) |
#define | PRINT_BRACKET |
#define | LIMIT_SCALING(VAR, MIN, MAX, FLAG) |
#define | AVGXY(T) |
#define | CALLBACKDATA(LABEL, VALUE) labels << (LABEL) << " "; values << (VALUE) << " "; |
#define | CALLBACKLIST(LABEL, VALUE) labels << (LABEL) << " "; values << "{" << (VALUE) << "} "; |
Typedefs | |
typedef void(* | namd_sighandler_t )(int) |
Functions | |
static void | my_sigint_handler (int sig) |
static char * | FORMAT (BigReal X, int decimal=4) |
static char * | FORMAT (const char *X, int decimal=4) |
static char * | ETITLE (int X) |
Variables | |
int | eventEndOfTimeStep |
static int | gotsigint = 0 |
#define AVGXY | ( | T | ) |
Referenced by Controller::calcPressure(), and Controller::Controller().
#define AVGXY | ( | T | ) |
#define CALCULATE |
Definition at line 553 of file Controller.C.
Referenced by Controller::minimize().
#define CALLBACKDATA | ( | LABEL, | |
VALUE | |||
) | labels << (LABEL) << " "; values << (VALUE) << " "; |
Referenced by Controller::printEnergies().
#define CALLBACKLIST | ( | LABEL, | |
VALUE | |||
) | labels << (LABEL) << " "; values << "{" << (VALUE) << "} "; |
Referenced by Controller::printEnergies().
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 52 of file Controller.C.
#define LIMIT_SCALING | ( | VAR, | |
MIN, | |||
MAX, | |||
FLAG | |||
) |
Referenced by Controller::berendsenPressure().
#define MIN_DEBUG_LEVEL 3 |
Definition at line 56 of file Controller.C.
#define MOVETO | ( | X | ) |
Definition at line 560 of file Controller.C.
Referenced by Controller::minimize().
#define PRINT_BRACKET |
Referenced by Controller::minimize().
#define XXXBIGREAL 1.0e32 |
Definition at line 60 of file Controller.C.
Referenced by Controller::Controller(), and Controller::printEnergies().
typedef void(* namd_sighandler_t)(int) |
Definition at line 426 of file Controller.C.
|
static |
|
static |
Definition at line 1388 of file Controller.C.
|
static |
Definition at line 1402 of file Controller.C.
|
static |
Definition at line 422 of file Controller.C.
|
static |
Definition at line 421 of file Controller.C.