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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2996 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-07-21 15:00:56 +00:00
parent 1bd17c65d2
commit 08577f42a7
16 changed files with 75 additions and 17 deletions
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14
src/fix_deposit.cpp
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@ -19,6 +19,8 @@
#include "atom_vec.h"
#include "force.h"
#include "update.h"
#include "modify.h"
#include "fix.h"
#include "comm.h"
#include "domain.h"
#include "lattice.h"
@ -155,6 +157,7 @@ int FixDeposit::setmask()
void FixDeposit::pre_exchange()
{
int i,j;
int flag,flagall;
double coord[3],lamda[3],delx,dely,delz,rsq;
double *newcoord;
@ -178,7 +181,10 @@ void FixDeposit::pre_exchange()
}
// attempt an insertion until successful
int nfix = modify->nfix;
Fix **fix = modify->fix;
int success = 0;
int attempt = 0;
while (attempt < maxattempt) {
@ -218,7 +224,7 @@ void FixDeposit::pre_exchange()
double **x = atom->x;
int nlocal = atom->nlocal;
for (int i = 0; i < nlocal; i++) {
for (i = 0; i < nlocal; i++) {
if (localflag) {
delx = coord[0] - x[i][0];
dely = coord[1] - x[i][1];
@ -245,7 +251,7 @@ void FixDeposit::pre_exchange()
int nlocal = atom->nlocal;
flag = 0;
for (int i = 0; i < nlocal; i++) {
for (i = 0; i < nlocal; i++) {
delx = coord[0] - x[i][0];
dely = coord[1] - x[i][1];
delz = coord[2] - x[i][2];
@ -293,6 +299,8 @@ void FixDeposit::pre_exchange()
atom->v[m][0] = vxtmp;
atom->v[m][1] = vytmp;
atom->v[m][2] = vztmp;
for (j = 0; j < nfix; j++)
if (fix[j]->create_attribute) fix[j]->set_arrays(m);
}
MPI_Allreduce(&flag,&success,1,MPI_INT,MPI_MAX,world);
break;