Merge pull request #1750 from rbberger/fix_pour_bugfix (2f9f4557) · Commits · 郑智淋 / lammps

src/GRANULAR/fix_pour.cpp

+11 −9

Original line number	Diff line number	Diff line
		@@ -782,25 +782,27 @@ int FixPour::overlap(int i)
		return 1 if value is outside, 0 if inside
		------------------------------------------------------------------------- */

		int FixPour::outside(int dim, double value, double lo, double hi)
		bool FixPour::outside(int dim, double value, double lo, double hi)
		{
		double boxlo = domain->boxlo[dim];
		double boxhi = domain->boxhi[dim];
		bool outside_pbc_range = true;
		bool outside_regular_range = (value < lo \|\| value > hi);

		if (domain->periodicity[dim]) {
		if (lo < boxlo && hi > boxhi) {
		return 0;
		if ((lo < boxlo && hi > boxhi) \|\| (hi - lo) > domain->prd[dim]) {
		// value is always inside
		outside_pbc_range = false;
		} else if (lo < boxlo) {
		if (value > hi && value < lo + domain->prd[dim]) return 1;
		// lower boundary crosses periodic boundary
		outside_pbc_range = (value > hi && value < lo + domain->prd[dim]);
		} else if (hi > boxhi) {
		if (value > hi - domain->prd[dim] && value < lo) return 1;
		} else {
		if (value < lo \|\| value > hi) return 1;
		// upper boundary crosses periodic boundary
		outside_pbc_range = (value < lo && value > hi - domain->prd[dim]);
		}
		}

		if (value < lo \|\| value > hi) return 1;
		return 0;
		return (outside_pbc_range && outside_regular_range);
		}

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

+1 −1

Original line number	Diff line number	Diff line
		@@ -70,7 +70,7 @@ class FixPour : public Fix {

		void find_maxid();
		int overlap(int);
		int outside(int, double, double, double);
		bool outside(int, double, double, double);
		void xyz_random(double, double *);
		double radius_sample();
		void options(int, char **);