NAMD
Macros | Functions | Variables
SimParameters.C File Reference
#include "InfoStream.h"
#include "ComputeNonbondedUtil.h"
#include "LJTable.h"
#include "ComputePme.h"
#include "ComputeCUDAMgr.h"
#include "ConfigList.h"
#include "SimParameters.h"
#include "ParseOptions.h"
#include "structures.h"
#include "Communicate.h"
#include "MStream.h"
#include "Output.h"
#include <stdio.h>
#include <time.h>
#include <sfftw.h>
#include <srfftw.h>
#include <unistd.h>
#include <fcntl.h>
#include <sys/stat.h>
#include <fstream>
#include "strlib.h"
#include "ComputeNonbondedMICKernel.h"
#include "DeviceCUDA.h"
#include "Debug.h"

Go to the source code of this file.

Macros

#define fftwf_malloc   fftw_malloc
 
#define fftwf_free   fftw_free
 
#define CHDIR   chdir
 
#define MKDIR(X)   mkdir(X,0777)
 
#define PATHSEP   '/'
 
#define PATHSEPSTR   "/"
 
#define XXXBIGREAL   1.0e32
 
#define MAX_SCRIPT_PARAM_SIZE   128
 
#define SCRIPT_PARSE_BOOL(NAME, VAR)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atobool(value); return; } }
 
#define SCRIPT_PARSE_INT(NAME, VAR)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atoi(value); return; } }
 
#define SCRIPT_PARSE_FLOAT(NAME, VAR)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atof(value); return; } }
 
#define SCRIPT_PARSE_MOD_FLOAT(NAME, VAR, MOD)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atof(value) MOD; return; } }
 
#define SCRIPT_PARSE_VECTOR(NAME, VAR)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR).set(value); return; } }
 
#define SCRIPT_PARSE_STRING(NAME, VAR)   { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { strcpy(VAR,value); return; } }
 
#define BoolToString(b)   ((b) ? "TRUE" : "FALSE")
 

Functions

int atobool (const char *s)
 

Variables

__thread DeviceCUDAdeviceCUDA
 

Detailed Description

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved. SimParameters is just a glorified structure to hold the global static simulation parameters such as timestep size, cutoff, etc. that are read in from the configuration file.

Definition in file SimParameters.C.

Macro Definition Documentation

#define BoolToString (   b)    ((b) ? "TRUE" : "FALSE")

Definition at line 6952 of file SimParameters.C.

#define CHDIR   chdir

Definition at line 58 of file SimParameters.C.

#define fftwf_free   fftw_free

Definition at line 40 of file SimParameters.C.

#define fftwf_malloc   fftw_malloc

Definition at line 39 of file SimParameters.C.

#define MAX_SCRIPT_PARAM_SIZE   128
#define MKDIR (   X)    mkdir(X,0777)

Definition at line 59 of file SimParameters.C.

#define PATHSEP   '/'

Definition at line 60 of file SimParameters.C.

#define PATHSEPSTR   "/"

Definition at line 61 of file SimParameters.C.

#define SCRIPT_PARSE_BOOL (   NAME,
  VAR 
)    { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atobool(value); return; } }
#define SCRIPT_PARSE_FLOAT (   NAME,
  VAR 
)    { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atof(value); return; } }
#define SCRIPT_PARSE_INT (   NAME,
  VAR 
)    { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atoi(value); return; } }
#define SCRIPT_PARSE_MOD_FLOAT (   NAME,
  VAR,
  MOD 
)    { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR) = atof(value) MOD; return; } }
#define SCRIPT_PARSE_STRING (   NAME,
  VAR 
)    { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { strcpy(VAR,value); return; } }
#define SCRIPT_PARSE_VECTOR (   NAME,
  VAR 
)    { if ( ! strncasecmp(param,(NAME),MAX_SCRIPT_PARAM_SIZE) ) { (VAR).set(value); return; } }
#define XXXBIGREAL   1.0e32

Definition at line 101 of file SimParameters.C.

Function Documentation

int atobool ( const char *  s)

Definition at line 168 of file SimParameters.C.

Referenced by SimParameters::scriptSet().

168  {
169  return ( (! strncasecmp(s,"yes",8)) ||
170  (! strncasecmp(s,"on",8)) ||
171  (! strncasecmp(s,"true",8)) );
172 };

Variable Documentation

__thread DeviceCUDA* deviceCUDA

Definition at line 18 of file DeviceCUDA.C.