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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7383 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-12-22 15:15:29 +00:00
parent 9921d20788
commit 80101f0754
7 changed files with 67 additions and 45 deletions
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22
src/output.cpp
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@ -38,9 +38,6 @@ using namespace LAMMPS_NS;
#define DELTA 1
#define MYMIN(a,b) ((a) < (b) ? (a) : (b))
#define MYMAX(a,b) ((a) > (b) ? (a) : (b))
/* ----------------------------------------------------------------------
initialize all output
------------------------------------------------------------------------- */
@ -187,7 +184,7 @@ void Output::setup(int flag)
if (writeflag) modify->addstep_compute(next_dump[idump]);
else modify->addstep_compute_all(next_dump[idump]);
}
if (idump) next_dump_any = MYMIN(next_dump_any,next_dump[idump]);
if (idump) next_dump_any = MIN(next_dump_any,next_dump[idump]);
else next_dump_any = next_dump[0];
}
} else next_dump_any = update->laststep + 1;
@ -218,7 +215,7 @@ void Output::setup(int flag)
if (thermo_every) {
next_thermo = (ntimestep/thermo_every)*thermo_every + thermo_every;
next_thermo = MYMIN(next_thermo,update->laststep);
next_thermo = MIN(next_thermo,update->laststep);
} else if (var_thermo) {
next_thermo = static_cast<int>
(input->variable->compute_equal(ivar_thermo));
@ -230,8 +227,8 @@ void Output::setup(int flag)
// next = next timestep any output will be done
next = MYMIN(next_dump_any,next_restart);
next = MYMIN(next,next_thermo);
next = MIN(next_dump_any,next_restart);
next = MIN(next,next_thermo);
}
/* ----------------------------------------------------------------------
@ -265,7 +262,7 @@ void Output::write(bigint ntimestep)
}
if (dump[idump]->clearstep) modify->addstep_compute(next_dump[idump]);
}
if (idump) next_dump_any = MYMIN(next_dump_any,next_dump[idump]);
if (idump) next_dump_any = MIN(next_dump_any,next_dump[idump]);
else next_dump_any = next_dump[0];
}
}
@ -311,14 +308,14 @@ void Output::write(bigint ntimestep)
if (next_thermo <= ntimestep)
error->all(FLERR,"Thermo every variable returned a bad timestep");
} else next_thermo = update->laststep;
next_thermo = MYMIN(next_thermo,update->laststep);
next_thermo = MIN(next_thermo,update->laststep);
modify->addstep_compute(next_thermo);
}
// next = next timestep any output will be done
next = MYMIN(next_dump_any,next_restart);
next = MYMIN(next,next_thermo);
next = MIN(next_dump_any,next_restart);
next = MIN(next,next_thermo);
}
/* ----------------------------------------------------------------------
@ -369,7 +366,8 @@ void Output::add_dump(int narg, char **arg)
// error checks
for (int idump = 0; idump < ndump; idump++)
if (strcmp(arg[0],dump[idump]->id) == 0) error->all(FLERR,"Reuse of dump ID");
if (strcmp(arg[0],dump[idump]->id) == 0)
error->all(FLERR,"Reuse of dump ID");
int igroup = group->find(arg[1]);
if (igroup == -1) error->all(FLERR,"Could not find dump group ID");
if (atoi(arg[3]) <= 0) error->all(FLERR,"Invalid dump frequency");