Merge pull request #1763 from lammps/fix-pour-doc (8778ec9d) · Commits · 郑智淋 / lammps

src/GRANULAR/fix_pour.cpp

+23 −15

Original line number	Diff line number	Diff line
		@@ -54,7 +54,8 @@ FixPour::FixPour(LAMMPS lmp, int narg, char *arg) :
		{
		if (narg < 6) error->all(FLERR,"Illegal fix pour command");

		if (lmp->kokkos) error->all(FLERR,"Cannot yet use fix pour with the KOKKOS package");
		if (lmp->kokkos)
		error->all(FLERR,"Cannot yet use fix pour with the KOKKOS package");

		time_depend = 1;

		@@ -789,10 +790,18 @@ bool FixPour::outside(int dim, double value, double lo, double hi)
		{
		double boxlo = domain->boxlo[dim];
		double boxhi = domain->boxhi[dim];

		// check for value inside/outside range, ignoring periodicity
		// if inside or dim is non-periodic, only this test is needed

		bool outside_range = (value < lo \|\| value > hi);
		if (!outside_range \|\| !domain->periodicity[dim]) return outside_range;

		// for periodic dimension:
		// must perform additional tests if range wraps around the periodic box

		bool outside_pbc_range = true;
		bool outside_regular_range = (value < lo \|\| value > hi);

		if (domain->periodicity[dim]) {
		if ((lo < boxlo && hi > boxhi) \|\| (hi - lo) > domain->prd[dim]) {
		// value is always inside
		outside_pbc_range = false;
		@@ -803,9 +812,8 @@ bool FixPour::outside(int dim, double value, double lo, double hi)
		// upper boundary crosses periodic boundary
		outside_pbc_range = (value < lo && value > hi - domain->prd[dim]);
		}
		}

		return (outside_pbc_range && outside_regular_range);
		return outside_pbc_range;
		}

		/* ---------------------------------------------------------------------- */