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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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This commit is contained in:
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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7
src/REPLICA/neb.cpp
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@ -16,6 +16,7 @@
#include "stdlib.h"
#include "string.h"
#include "neb.h"
#include "lmptype.h"
#include "universe.h"
#include "atom.h"
#include "update.h"
@ -482,8 +483,10 @@ void NEB::print_status()
}
if (me_universe == 0) {
char fstr[32];
sprintf(fstr,"%s %%g %%g ",BIGINT_FORMAT);
if (universe->uscreen) {
fprintf(universe->uscreen,"%d %g %g ",update->ntimestep,
fprintf(universe->uscreen,fstr,update->ntimestep,
fmaxreplica,fmaxatom);
fprintf(universe->uscreen,"%g %g %g ",
gradvnorm0,gradvnorm1,gradvnormc);
@ -493,7 +496,7 @@ void NEB::print_status()
fprintf(universe->uscreen,"\n");
}
if (universe->ulogfile) {
fprintf(universe->ulogfile,"%d %g %g ",update->ntimestep,
fprintf(universe->ulogfile,fstr,update->ntimestep,
fmaxreplica,fmaxatom);
fprintf(universe->ulogfile,"%g %g %g ",
gradvnorm0,gradvnorm1,gradvnormc);