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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9227 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-01-04 17:58:46 +00:00
parent fe5de26b23
commit 9b87f88124
8 changed files with 12 additions and 12 deletions
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8
examples/COUPLE/lammps_quest/lmpqst.cpp
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@ -10,6 +10,7 @@
#include "stdio.h"
#include "stdlib.h"
#include "string.h"
#include "stdint.h"
#include "many2one.h"
#include "one2many.h"
@ -35,7 +36,7 @@ using namespace LAMMPS_NS;
#define ANGSTROM_per_BOHR 0.529
#define EV_per_RYDBERG 13.6056923
void quest_callback(void *, int, int, int *, double **, double **);
void quest_callback(void *, bigint, int, int *, double **, double **);
struct Info {
int me;
@ -92,6 +93,7 @@ int main(int narg, char **arg)
info.quest_input = quest_input;
// set callback to Quest inside fix external
// this could also be done thru Python, using a ctypes callback
int ifix = lmp->modify->find_fix("2");
FixExternal *fix = (FixExternal *) lmp->modify->fix[ifix];
@ -122,8 +124,8 @@ int main(int narg, char **arg)
f can be NULL if proc owns no atoms
------------------------------------------------------------------------- */
void quest_callback(void *ptr, int ntimestep, int nlocal,
int *id, double **x, double **f)
void quest_callback(void *ptr, bigint ntimestep,
int nlocal, int *id, double **x, double **f)
{
int i,j;
char str[128];