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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10112 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-06-27 21:36:57 +00:00
parent 069f071cf3
commit 92e78a2f8e
2 changed files with 57 additions and 11 deletions
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25
tools/binary2txt.cpp
View File

@ -22,15 +22,38 @@
#include "stdio.h"
#include "string.h"
// this should match setting in src/lmptype.h
// these must match settings in src/lmptype.h which builds LAMMPS with
// -DLAMMPS_SMALLBIG (the default), -DLAMMPS_BIGBIG, or -DLAMMPS_SMALLSMALL
// you can edit the tools/Makefile to enforce the same setting
// for the build of binary2txt, e.g.
// g++ -g -DLAMMPS_BIGBIG binarytxt.o -o binary2txt
// again -DLAMMPS_SMALLBIG is the default
#include "stdint.h"
#define __STDC_FORMAT_MACROS
#include "inttypes.h"
#ifndef PRId64
#define PRId64 "ld"
#endif
#if !defined(LAMMPS_SMALLSMALL) && !defined(LAMMPS_BIGBIG) && !defined(LAMMPS_SMALLBIG)
#define LAMMPS_SMALLBIG
#endif
#if defined(LAMMPS_SMALLBIG)
typedef int tagint;
typedef int64_t bigint;
#define BIGINT_FORMAT "%" PRId64
#elif defined(LAMMPS_SMALLSMALL)
typedef int tagint;
typedef int bigint;
#define BIGINT_FORMAT "%d"
#else /* LAMMPS_BIGBIG */
typedef int64_t tagint;
typedef int64_t bigint;
#define BIGINT_FORMAT "%" PRId64
#endif
int main(int narg, char **arg)
{

43
tools/restart2data.cpp
View File

@ -36,27 +36,50 @@
#define MAX_GROUP 32
#define PI (4.0*atan(1.0))
// these must match settings in src/lmptype.h
// depending on whether you built LAMMPS with
// -DLAMMPS_SMALLBIG (the default), -DLAMMPS_BIGBIG, or -DLAMMPS_SMALLSMALL
// these must match settings in src/lmptype.h which builds LAMMPS with
// -DLAMMPS_SMALLBIG (the default), -DLAMMPS_BIGBIG, or -DLAMMPS_SMALLSMALL
// you can edit the tools/Makefile to enforce the same setting
// for the build of restart2data, e.g.
// g++ -g -DLAMMPS_BIGBIG restart2data.o -o restart2data
// again -DLAMMPS_SMALLBIG is the default
#include "stdint.h"
#define __STDC_FORMAT_MACROS
#include "inttypes.h"
#ifndef PRId64
#define PRId64 "ld"
#endif
#if !defined(LAMMPS_SMALLSMALL) && !defined(LAMMPS_BIGBIG) && !defined(LAMMPS_SMALLBIG)
#define LAMMPS_SMALLBIG
#endif
#if defined(LAMMPS_SMALLBIG)
typedef int tagint;
typedef int64_t bigint;
#define BIGINT_FORMAT "%" PRId64
#define IMGMASK 1023
#define IMGMAX 512
#define IMGBITS 10
#define IMG2BITS 20
//#define IMGMASK 2097151
//#define IMGMAX 1048576
//#define IMGBITS 21
//#define IMG2BITS 42
#elif defined(LAMMPS_SMALLSMALL)
typedef int tagint;
typedef int bigint;
#define BIGINT_FORMAT "%d"
#define IMGMASK 1023
#define IMGMAX 512
#define IMGBITS 10
#define IMG2BITS 20
#else /* LAMMPS_BIGBIG */
typedef int64_t tagint;
typedef int64_t bigint;
#define BIGINT_FORMAT "%" PRId64
#define IMGMASK 2097151
#define IMGMAX 1048576
#define IMGBITS 21
#define IMG2BITS 42
#endif
// same as write_restart.cpp
@ -544,7 +567,7 @@ int main (int narg, char **arg)
void header(FILE *fp, Data &data)
{
const char *version = "17 May 2012";
const char *version = "27 June 2013";
data.triclinic = 0;