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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8237 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-07 23:51:09 +00:00
parent 78f8f69895
commit 441c71f367
18 changed files with 175 additions and 54 deletions
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30
src/update.cpp
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@ -356,9 +356,8 @@ void Update::reset_timestep(int narg, char **arg)
/* ----------------------------------------------------------------------
reset timestep
do not allow dump files or a restart to be defined
trigger reset of timestep for output and fixes that require it
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 between runs
@ -367,23 +366,18 @@ void Update::reset_timestep(int narg, char **arg)
void Update::reset_timestep(bigint newstep)
{
for (int i = 0; i < output->ndump; i++)
if (output->last_dump[i] >= 0)
error->all(FLERR,
"Cannot reset timestep with dump file already written to");
ntimestep = newstep;
if (ntimestep < 0) error->all(FLERR,"Timestep must be >= 0");
if (ntimestep > MAXBIGINT) error->all(FLERR,"Too big a timestep");
if (output->restart && output->last_restart >= 0)
error->all(FLERR,
"Cannot reset timestep with restart file already written");
output->reset_timestep(ntimestep);
for (int i = 0; i < modify->nfix; i++)
for (int i = 0; i < modify->nfix; i++) {
if (modify->fix[i]->time_depend)
error->all(FLERR,
"Cannot reset timestep with a time-dependent fix defined");
for (int i = 0; i < domain->nregion; i++)
if (domain->regions[i]->dynamic_check())
error->all(FLERR,"Cannot reset timestep with a dynamic region defined");
modify->fix[i]->reset_timestep(newstep);
}
eflag_global = vflag_global = -1;
@ -398,9 +392,11 @@ void Update::reset_timestep(bigint newstep)
for (int i = 0; i < modify->ncompute; i++)
if (modify->compute[i]->timeflag) modify->compute[i]->clearstep();
ntimestep = newstep;
if (ntimestep < 0) error->all(FLERR,"Timestep must be >= 0");
if (ntimestep > MAXBIGINT) error->all(FLERR,"Too big a timestep");
// NOTE: 7Jun12, adding rerun command, don't think this is required
//for (int i = 0; i < domain->nregion; i++)
// if (domain->regions[i]->dynamic_check())
// error->all(FLERR,"Cannot reset timestep with a dynamic region defined");
}
/* ----------------------------------------------------------------------