git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4051 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2010-04-27 15:38:10 +00:00
parent 5a0bd3bdb3
commit e2840e300d
2 changed files with 6 additions and 0 deletions

View File

@ -24,6 +24,7 @@
#include "update.h"
#include "comm.h"
#include "force.h"
#include "kspace.h"
#include "modify.h"
#include "compute.h"
#include "error.h"
@ -318,6 +319,9 @@ void FixBoxRelax::init()
pv2e = 1.0 / force->nktv2p;
if (force->kspace) kspace_flag = 1;
else kspace_flag = 0;
// detect if any rigid fixes exist so rigid bodies move when box is remapped
// rfix[] = indices to each fix rigid
@ -528,6 +532,7 @@ void FixBoxRelax::min_step(double alpha, double *hextra)
}
}
remap();
if (kspace_flag) force->kspace->setup();
}
/* ----------------------------------------------------------------------