ICODE-ADC/lammps
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ensure, that we have no division by zero and add an upper limit for bins

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This commit is contained in:
Axel Kohlmeyer
2018-10-02 12:27:05 -04:00
parent 13d3903e8d
commit ff7449b29a
1 changed files with 8 additions and 5 deletions
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13
src/USER-MISC/compute_pressure_cylinder.cpp
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@ -61,17 +61,20 @@ ComputePressureCyl::ComputePressureCyl(LAMMPS *lmp, int narg, char **arg) :
Rmax=force->numeric(FLERR,arg[5]);
bin_width=force->numeric(FLERR,arg[6]);
if (bin_width<0.0 || bin_width<Rmax)
if ((bin_width <= 0.0) || (bin_width < Rmax))
error->all(FLERR,"Illegal compute pressure/cylinder command");
if (zhi<zlo || (zhi-zlo)<bin_width)
if ((zhi < zlo) || ((zhi-zlo) < bin_width))
error->all(FLERR,"Illegal compute pressure/cylinder command");
if (zhi>domain->boxhi[2] || zlo<domain->boxlo[2])
if ((zhi > domain->boxhi[2]) || (zlo < domain->boxlo[2]))
error->all(FLERR,"Illegal compute pressure/cylinder command");
nbins=(int)(Rmax/bin_width);
nzbins=(int)((zhi-zlo)/bin_width);
if (nbins<1 or nzbins<1)
// NOTE: at 2^22 = 4.2M bins, we will be close to exhausting allocatable
// memory on a 32-bit environment. so we use this as an upper limit.
if ((nbins < 1) || (nzbins < 1) || (nbins > 2>>22) || (nbins > 2>>22))
error->all(FLERR,"Illegal compute pressure/cylinder command");
array_flag=1;