only check for consistent cutoff and return it when flagged as kspace compatible (9afbc718) · Commits · 郑智淋 / lammps

src/pair_table.cpp

+11 −7

Original line number	Diff line number	Diff line
		@@ -1033,6 +1033,9 @@ void PairTable::extract(const char str, int &dim)
		if (strcmp(str,"cut_coul") != 0) return NULL;
		if (ntables == 0) error->all(FLERR,"All pair coeffs are not set");

		// only check for cutoff consistency if claiming to be KSpace compatible

		if (ewaldflag \|\| pppmflag \|\| msmflag \|\| dispersionflag \|\| tip4pflag) {
		double cut_coul = tables[0].cut;
		for (int m = 1; m < ntables; m++)
		if (tables[m].cut != cut_coul)
		@@ -1040,4 +1043,5 @@ void PairTable::extract(const char str, int &dim)
		"Pair table cutoffs must all be equal to use with KSpace");
		dim = 0;
		return &tables[0].cut;
		} else return NULL;
		}