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Controller.C File Reference

#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 <iomanip>
#include "Debug.h"

Go to the source code of this file.

Classes

class  PressureProfileReduction
struct  minpoint

Defines

#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 LIMIT_SCALING(VAR, MIN, MAX, FLAG)
#define AVGXY(T)

Typedefs

typedef void(* namd_sighandler_t )(int)

Functions

void my_sigint_handler (int sig)
char * FORMAT (BigReal X)
char * FORMAT (const char *X)
char * ETITLE (int X)
char * FEPTITLE (int X)
char * TITITLE (int X)

Variables

int eventEndOfTimeStep
int gotsigint = 0

Define Documentation

#define AVGXY (  T   ) 
 

Value:

T.xy = T.yx = 0; T.xx = T.yy = 0.5 * ( T.xx + T.yy );\
                 T.xz = T.zx = T.yz = T.zy = 0.5 * ( T.xz + T.yz );

#define AVGXY (  T   ) 
 

Value:

T.xy = T.yx = 0; T.xx = T.yy = 0.5 * ( T.xx + T.yy );\
                 T.xz = T.zx = T.yz = T.zy = 0.5 * ( T.xz + T.yz );

Referenced by Controller::Controller(), and Controller::receivePressure().

#define CALCULATE
 

Value:

printMinimizeEnergies(step); \
  outputExtendedSystem(step); \
  rebalanceLoad(step); \
  if ( step == numberOfSteps ) return; \
  else ++step;

Definition at line 372 of file Controller.C.

Referenced by Controller::minimize().

#define cbrt (  x   )     pow(x,(double)(1.0/3.0))
 

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.

Definition at line 47 of file Controller.C.

#define LIMIT_SCALING (  VAR,
MIN,
MAX,
FLAG   ) 
 

Value:

{\
         if ( VAR < (MIN) ) { VAR = (MIN); FLAG = 1; } \
         if ( VAR > (MAX) ) { VAR = (MAX); FLAG = 1; } }

Referenced by Controller::berendsenPressure().

#define MIN_DEBUG_LEVEL   3
 

Definition at line 51 of file Controller.C.

#define MOVETO (  X   ) 
 

Value:

if ( step == numberOfSteps ) { \
    if ( 0 ) { iout << "LINE MINIMIZER: RETURNING TO " << mid.x << " FROM " << last.x << "\n" << endi; } \
    if ( newDir || (mid.x-last.x) ) { \
      broadcast->minimizeCoefficient.publish(minSeq++,mid.x-last.x); \
    } else { \
      broadcast->minimizeCoefficient.publish(minSeq++,0.); \
      broadcast->minimizeCoefficient.publish(minSeq++,0.); \
      broadcast->minimizeCoefficient.publish(minSeq++,0.); \
    } \
    enqueueCollections(step); \
    CALCULATE \
  } else if ( (X)-last.x ) { \
    if ( 0 ) { iout << "LINE MINIMIZER: MOVING FROM " << last.x << " TO " << (X) << "\n" << endi; } \
    broadcast->minimizeCoefficient.publish(minSeq++,(X)-last.x); \
    newDir = 0; \
    last.x = (X); \
    enqueueCollections(step); \
    CALCULATE \
    last.u = min_energy; \
    last.dudx = -1. * min_f_dot_v; \
  }

Definition at line 379 of file Controller.C.

Referenced by Controller::minimize().

#define XXXBIGREAL   1.0e32
 

Definition at line 55 of file Controller.C.

Typedef Documentation

typedef void(* namd_sighandler_t)(int)
 

Definition at line 296 of file Controller.C.

Function Documentation

char* ETITLE (  int  X  )  [static]
 

Definition at line 875 of file Controller.C.

Referenced by Controller::printEnergies().

00876 {
00877   static char tmp_string[21];
00878   sprintf(tmp_string,"ENERGY: %7d",X); 
00879   return  tmp_string;
00880 }

char* FEPTITLE (  int  X  )  [static]
 

Definition at line 1651 of file Controller.C.

Referenced by Controller::writeFepEnergyData().

01652 { 
01653   static char tmp_string[21];
01654   sprintf(tmp_string, "FepEnergy: %6d ",X);
01655   return tmp_string;
01656 }

char* FORMAT (  const char *  X  )  [static]
 

Definition at line 868 of file Controller.C.

Referenced by Controller::printEnergies(), Controller::writeFepEnergyData(), and Controller::writeTiEnergyData().

00869 {
00870   static char tmp_string[25];
00871   sprintf(tmp_string," %14s",X); 
00872   return tmp_string;
00873 }

char* FORMAT (  BigReal  X  )  [static]
 

Definition at line 858 of file Controller.C.

00859 {
00860   static char tmp_string[25];
00861   const double maxnum = 99999999.9999;
00862   if ( X > maxnum ) X = maxnum;
00863   if ( X < -maxnum ) X = -maxnum;
00864   sprintf(tmp_string," %14.4f",X); 
00865   return tmp_string;
00866 }

void my_sigint_handler (  int  sig  )  [static]
 

Definition at line 292 of file Controller.C.

References gotsigint.

00292                                        {
00293   if (sig == SIGINT) gotsigint = 1;
00294 }

char* TITITLE (  int  X  )  [static]
 

Definition at line 1658 of file Controller.C.

Referenced by Controller::writeTiEnergyData().

01659 { 
01660   static char tmp_string[21];
01661   sprintf(tmp_string, "TI   %6d ",X);
01662   return tmp_string;
01663 }

Variable Documentation

int eventEndOfTimeStep
 

Definition at line 84 of file Node.C.

Referenced by Controller::integrate(), and Node::Node().

int gotsigint = 0 [static]
 

Definition at line 291 of file Controller.C.

Referenced by my_sigint_handler().

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