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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-01-11 00:41:00 +00:00
parent 4bc2d6f332
commit 82ec94916d
79 changed files with 458 additions and 315 deletions
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6
src/min_quickmin.cpp
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@ -14,6 +14,7 @@
#include "mpi.h"
#include "math.h"
#include "min_quickmin.h"
#include "lmptype.h"
#include "universe.h"
#include "atom.h"
#include "force.h"
@ -79,12 +80,13 @@ void MinQuickMin::reset_vectors()
int MinQuickMin::iterate(int maxiter)
{
int ntimestep,flag,flagall;
bigint ntimestep;
double vmax,vdotf,vdotfall,fdotf,fdotfall,scale;
double dtvone,dtv,dtfm;
int flag,flagall;
alpha_final = 0.0;
int last_negative = update->ntimestep;
bigint last_negative = update->ntimestep;
for (int iter = 0; iter < maxiter; iter++) {
ntimestep = ++update->ntimestep;