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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3642 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-01-11 20:25:07 +00:00
parent 056c4e38d3
commit 322ed02798
23 changed files with 506 additions and 49 deletions
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7
src/update.cpp
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@ -18,6 +18,8 @@
#include "force.h"
#include "modify.h"
#include "fix.h"
#include "domain.h"
#include "region.h"
#include "compute.h"
#include "output.h"
#include "memory.h"
@ -222,6 +224,7 @@ void Update::create_minimize(int narg, char **arg)
reset timestep from input script
do not allow dump files or a restart to be defined
do not allow any timestep-dependent fixes to be defined
do not allow any dynamic regions to be defined
reset eflag/vflag global so nothing will think eng/virial are current
reset invoked flags of computes, so nothing will think they are current
clear timestep list of computes that store future invocation times
@ -241,6 +244,10 @@ void Update::reset_timestep(int narg, char **arg)
if (modify->fix[i]->time_depend)
error->all("Cannot reset timestep with a time-dependent fix defined");
for (int i = 0; i < domain->nregion; i++)
if (domain->regions[i]->dynamic)
error->all("Cannot reset timestep with a dynamic region defined");
eflag_global = vflag_global = -1;
for (int i = 0; i < modify->ncompute; i++) {