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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-09-23 18:06:55 +00:00
parent 2d99de131d
commit 19e8c92a90
468 changed files with 4628 additions and 5204 deletions
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28
src/update.cpp
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@ -91,10 +91,10 @@ void Update::init()
if (whichflag == 1 && lmp->cuda)
if (strstr(integrate_style,"cuda") == NULL)
error->all("USER-CUDA mode requires CUDA variant of run style");
error->all(FLERR,"USER-CUDA mode requires CUDA variant of run style");
if (whichflag == 2 && lmp->cuda)
if (strstr(minimize_style,"cuda") == NULL)
error->all("USER-CUDA mode requires CUDA variant of min style");
error->all(FLERR,"USER-CUDA mode requires CUDA variant of min style");
// init the appropriate integrate and/or minimize class
// if neither (e.g. from write_restart) then just return
@ -224,7 +224,7 @@ void Update::set_units(const char *style)
dt = 0.001;
neighbor->skin = 2.0;
} else error->all("Illegal units command");
} else error->all(FLERR,"Illegal units command");
delete [] unit_style;
int n = strlen(style) + 1;
@ -236,7 +236,7 @@ void Update::set_units(const char *style)
void Update::create_integrate(int narg, char **arg, char *suffix)
{
if (narg < 1) error->all("Illegal run_style command");
if (narg < 1) error->all(FLERR,"Illegal run_style command");
delete [] integrate_style;
delete integrate;
@ -296,7 +296,7 @@ void Update::new_integrate(char *style, int narg, char **arg,
#undef IntegrateStyle
#undef INTEGRATE_CLASS
else error->all("Illegal integrate style");
else error->all(FLERR,"Illegal integrate style");
}
}
@ -304,7 +304,7 @@ void Update::new_integrate(char *style, int narg, char **arg,
void Update::create_minimize(int narg, char **arg)
{
if (narg != 1) error->all("Illegal min_style command");
if (narg != 1) error->all(FLERR,"Illegal min_style command");
delete [] minimize_style;
delete minimize;
@ -317,7 +317,7 @@ void Update::create_minimize(int narg, char **arg)
#include "style_minimize.h"
#undef MINIMIZE_CLASS
else error->all("Illegal min_style command");
else error->all(FLERR,"Illegal min_style command");
int n = strlen(arg[0]) + 1;
minimize_style = new char[n];
@ -337,21 +337,21 @@ void Update::create_minimize(int narg, char **arg)
void Update::reset_timestep(int narg, char **arg)
{
if (narg != 1) error->all("Illegal reset_timestep command");
if (narg != 1) error->all(FLERR,"Illegal reset_timestep command");
for (int i = 0; i < output->ndump; i++)
if (output->last_dump[i] >= 0)
error->all("Cannot reset timestep with dump file already written to");
error->all(FLERR,"Cannot reset timestep with dump file already written to");
if (output->restart && output->last_restart >= 0)
error->all("Cannot reset timestep with restart file already written");
error->all(FLERR,"Cannot reset timestep with restart file already written");
for (int i = 0; i < modify->nfix; i++)
if (modify->fix[i]->time_depend)
error->all("Cannot reset timestep with a time-dependent fix defined");
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("Cannot reset timestep with a dynamic region defined");
error->all(FLERR,"Cannot reset timestep with a dynamic region defined");
eflag_global = vflag_global = -1;
@ -367,8 +367,8 @@ void Update::reset_timestep(int narg, char **arg)
if (modify->compute[i]->timeflag) modify->compute[i]->clearstep();
ntimestep = ATOBIGINT(arg[0]);
if (ntimestep < 0) error->all("Timestep must be >= 0");
if (ntimestep > MAXBIGINT) error->all("Too big a timestep");
if (ntimestep < 0) error->all(FLERR,"Timestep must be >= 0");
if (ntimestep > MAXBIGINT) error->all(FLERR,"Too big a timestep");
}
/* ----------------------------------------------------------------------