ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8225 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2012-06-05 23:48:09 +00:00
parent 153bb556f5
commit f46eb9dedb
2 changed files with 15 additions and 5 deletions
Download Patch File Download Diff File Expand all files Collapse all files

19
src/update.cpp
View File

@ -344,7 +344,18 @@ void Update::create_minimize(int narg, char **arg)
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
reset timestep from input script reset timestep as called from input script
------------------------------------------------------------------------- */
void Update::reset_timestep(int narg, char **arg)
{
if (narg != 1) error->all(FLERR,"Illegal reset_timestep command");
bigint newstep = ATOBIGINT(arg[0]);
reset_timestep(newstep);
}
/* ----------------------------------------------------------------------
reset timestep
do not allow dump files or a restart to be defined 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 timestep-dependent fixes to be defined
do not allow any dynamic regions to be defined do not allow any dynamic regions to be defined
@ -354,10 +365,8 @@ void Update::create_minimize(int narg, char **arg)
clear timestep list of computes that store future invocation times clear timestep list of computes that store future invocation times
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void Update::reset_timestep(int narg, char **arg) void Update::reset_timestep(bigint newstep)
{ {
if (narg != 1) error->all(FLERR,"Illegal reset_timestep command");
for (int i = 0; i < output->ndump; i++) for (int i = 0; i < output->ndump; i++)
if (output->last_dump[i] >= 0) if (output->last_dump[i] >= 0)
error->all(FLERR, error->all(FLERR,
@ -389,7 +398,7 @@ void Update::reset_timestep(int narg, char **arg)
for (int i = 0; i < modify->ncompute; i++) for (int i = 0; i < modify->ncompute; i++)
if (modify->compute[i]->timeflag) modify->compute[i]->clearstep(); if (modify->compute[i]->timeflag) modify->compute[i]->clearstep();
ntimestep = ATOBIGINT(arg[0]); ntimestep = newstep;
if (ntimestep < 0) error->all(FLERR,"Timestep must be >= 0"); if (ntimestep < 0) error->all(FLERR,"Timestep must be >= 0");
if (ntimestep > MAXBIGINT) error->all(FLERR,"Too big a timestep"); if (ntimestep > MAXBIGINT) error->all(FLERR,"Too big a timestep");
} }

1
src/update.h
View File

@ -51,6 +51,7 @@ class Update : protected Pointers {
void create_integrate(int, char **, char *); void create_integrate(int, char **, char *);
void create_minimize(int, char **); void create_minimize(int, char **);
void reset_timestep(int, char **); void reset_timestep(int, char **);
void reset_timestep(bigint);
bigint memory_usage(); bigint memory_usage();
private: private: