ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4786 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2010-09-14 15:23:12 +00:00
parent 83c1c61d5b
commit e453dab613
9 changed files with 45 additions and 414 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
src/fix_deform.cpp
View File

@ -22,6 +22,7 @@
#include "atom.h"
#include "update.h"
#include "comm.h"
#include "irregular.h"
#include "domain.h"
#include "lattice.h"
#include "force.h"
@ -301,6 +302,9 @@ FixDeform::FixDeform(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
rfix = NULL;
flip = 0;
if (force_reneighbor) irregular = new Irregular(lmp);
else irregular = NULL;
TWOPI = 8.0*atan(1.0);
}
@ -311,6 +315,8 @@ FixDeform::~FixDeform()
delete [] set;
delete [] rfix;
delete irregular;
// reset domain's h_rate = 0.0, since this fix may have made it non-zero
double *h_rate = domain->h_rate;
@ -326,7 +332,7 @@ FixDeform::~FixDeform()
int FixDeform::setmask()
{
int mask = 0;
mask |= PRE_EXCHANGE;
if (force_reneighbor) mask |= PRE_EXCHANGE;
mask |= END_OF_STEP;
return mask;
}
@ -570,7 +576,7 @@ void FixDeform::pre_exchange()
for (int i = 0; i < nlocal; i++) domain->remap(x[i],image[i]);
domain->x2lamda(atom->nlocal);
comm->irregular();
irregular->migrate_atoms();
domain->lamda2x(atom->nlocal);
flip = 0;