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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5047 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-10-14 17:18:05 +00:00
parent c507b5f502
commit 7b516d0751
12 changed files with 68 additions and 12 deletions
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4
src/fix_aveforce.cpp
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@ -17,6 +17,7 @@
#include "fix_aveforce.h"
#include "atom.h"
#include "update.h"
#include "modify.h"
#include "domain.h"
#include "region.h"
#include "respa.h"
@ -206,6 +207,7 @@ void FixAveForce::post_force(int vflag)
// average the force on participating atoms
// add in requested amount, computed via variable evaluation if necessary
// wrap variable evaluation with clear/add
MPI_Allreduce(foriginal,foriginal_all,4,MPI_DOUBLE,MPI_SUM,world);
@ -213,9 +215,11 @@ void FixAveForce::post_force(int vflag)
if (ncount == 0) return;
if (varflag == EQUAL) {
modify->clearstep_compute();
if (xstyle == EQUAL) xvalue = input->variable->compute_equal(xvar);
if (ystyle == EQUAL) yvalue = input->variable->compute_equal(yvar);
if (zstyle == EQUAL) zvalue = input->variable->compute_equal(zvar);
modify->addstep_compute(update->ntimestep + 1);
}
double fave[3];