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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2016-04-15 16:08:22 +00:00
parent f50b03fcab
commit eb8fdc4ab6
9 changed files with 14 additions and 2 deletions
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1
src/KSPACE/fix_tune_kspace.cpp
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@ -63,6 +63,7 @@ FixTuneKspace::FixTuneKspace(LAMMPS *lmp, int narg, char **arg) :
// parse arguments
nevery = force->inumeric(FLERR,arg[3]);
if (nevery <= 0) error->all(FLERR,"Illegal fix tune/kspace command");
// set up reneighboring

1
src/MC/fix_atom_swap.cpp
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@ -79,6 +79,7 @@ FixAtomSwap::FixAtomSwap(LAMMPS *lmp, int narg, char **arg) :
double temperature = force->numeric(FLERR,arg[6]);
beta = 1.0/(force->boltz*temperature);
if (nevery <= 0) error->all(FLERR,"Illegal fix atom/swap command");
if (ncycles < 0) error->all(FLERR,"Illegal fix atom/swap command");
if (seed <= 0) error->all(FLERR,"Illegal fix atom/swap command");

1
src/MC/fix_gcmc.cpp
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@ -85,6 +85,7 @@ FixGCMC::FixGCMC(LAMMPS *lmp, int narg, char **arg) :
chemical_potential = force->numeric(FLERR,arg[9]);
displace = force->numeric(FLERR,arg[10]);
if (nevery <= 0) error->all(FLERR,"Illegal fix gcmc command");
if (nexchanges < 0) error->all(FLERR,"Illegal fix gcmc command");
if (nmcmoves < 0) error->all(FLERR,"Illegal fix gcmc command");
if (seed <= 0) error->all(FLERR,"Illegal fix gcmc command");

4
src/QEQ/fix_qeq.cpp
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@ -55,6 +55,10 @@ FixQEq::FixQEq(LAMMPS *lmp, int narg, char **arg) :
tolerance = force->numeric(FLERR,arg[5]);
maxiter = force->inumeric(FLERR,arg[6]);
// check for sane arguments
if ((nevery <= 0) || (cutoff <= 0.0) || (tolerance <= 0.0) || (maxiter <= 0))
error->all(FLERR,"Illegal fix qeq command");
alpha = 0.20;
swa = 0.0;
swb = cutoff;

2
src/REPLICA/neb.cpp
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@ -122,7 +122,7 @@ void NEB::command(int narg, char **arg)
if (etol < 0.0) error->all(FLERR,"Illegal NEB command");
if (ftol < 0.0) error->all(FLERR,"Illegal NEB command");
if (nevery == 0) error->universe_all(FLERR,"Illegal NEB command");
if (nevery <= 0) error->universe_all(FLERR,"Illegal NEB command");
if (n1steps % nevery || n2steps % nevery)
error->universe_all(FLERR,"Illegal NEB command");

2
src/REPLICA/temper.cpp
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@ -87,7 +87,7 @@ void Temper::command(int narg, char **arg)
// swap frequency must evenly divide total # of timesteps
if (nevery == 0)
if (nevery <= 0)
error->universe_all(FLERR,"Invalid frequency in temper command");
nswaps = nsteps/nevery;
if (nswaps*nevery != nsteps)

2
src/USER-REAXC/fix_qeq_reax.cpp
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@ -71,6 +71,8 @@ FixQEqReax::FixQEqReax(LAMMPS *lmp, int narg, char **arg) :
if (narg != 8) error->all(FLERR,"Illegal fix qeq/reax command");
nevery = force->inumeric(FLERR,arg[3]);
if (nevery <= 0) error->all(FLERR,"Illegal fix qeq/reax command");
swa = force->numeric(FLERR,arg[4]);
swb = force->numeric(FLERR,arg[5]);
tolerance = force->numeric(FLERR,arg[6]);

1
src/dump_custom.cpp
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@ -60,6 +60,7 @@ DumpCustom::DumpCustom(LAMMPS *lmp, int narg, char **arg) :
clearstep = 1;
nevery = force->inumeric(FLERR,arg[3]);
if (nevery <= 0) error->all(FLERR,"Illegal dump custom command");
// size_one may be shrunk below if additional optional args exist

2
src/dump_local.cpp
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@ -43,6 +43,8 @@ DumpLocal::DumpLocal(LAMMPS *lmp, int narg, char **arg) :
clearstep = 1;
nevery = force->inumeric(FLERR,arg[3]);
if (nevery <= 0) error->all(FLERR,"Illegal dump local command");
size_one = nfield = narg-5;
pack_choice = new FnPtrPack[nfield];