NAMD
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#include "InfoStream.h"
#include "common.h"
#include "converse.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 "PatchData.h"
#include "Debug.h"
Go to the source code of this file.
Classes | |
class | PressureProfileReduction |
struct | Controller::CthThreadWrapper |
struct | minpoint |
Macros | |
#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 double | namdWallTimer () |
static char * | FEPTITLE (int X) |
static char * | FEPTITLE_BACK (int X) |
static char * | FEPTITLE2 (int X) |
static char * | TITITLE (int X) |
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 739 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().
#define LIMIT_SCALING | ( | VAR, | |
MIN, | |||
MAX, | |||
FLAG | |||
) |
Definition at line 1366 of file Controller.C.
Referenced by Controller::berendsenPressure().
#define MIN_DEBUG_LEVEL 3 |
Definition at line 69 of file Controller.C.
#define MOVETO | ( | X | ) |
Definition at line 746 of file Controller.C.
Referenced by Controller::minimize().
#define PRINT_BRACKET |
Referenced by Controller::minimize().
#define XXXBIGREAL 1.0e32 |
Definition at line 73 of file Controller.C.
Referenced by Controller::Controller(), and Controller::printEnergies().
typedef void(* namd_sighandler_t) (int) |
Definition at line 528 of file Controller.C.
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Definition at line 1833 of file Controller.C.
References X.
Referenced by Controller::printEnergies().
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Definition at line 76 of file Controller.C.
References X.
Referenced by Controller::writeFepEnergyData().
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Definition at line 90 of file Controller.C.
References X.
Referenced by Controller::printEnergies().
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Definition at line 83 of file Controller.C.
References X.
Referenced by Controller::writeFepEnergyData().
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Definition at line 1808 of file Controller.C.
References X.
Referenced by Controller::outputTiEnergy(), Controller::printEnergies(), Controller::writeFepEnergyData(), and Controller::writeTiEnergyData().
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Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 59 of file Controller.C.
Referenced by Controller::cycleBarrier(), Controller::printEnergies(), Controller::printTiming(), Controller::rebalanceLoad(), Controller::resumeAfterTraceBarrier(), and Controller::traceBarrier().
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Definition at line 97 of file Controller.C.
References X.
Referenced by Controller::printEnergies(), and Controller::writeTiEnergyData().
int eventEndOfTimeStep |
Definition at line 296 of file Node.C.
Referenced by Controller::integrate().
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Definition at line 523 of file Controller.C.
Referenced by my_sigint_handler().