update lookup table in pair style table as well (c7c6c44a) · Commits · 郑智淋 / lammps

src/pair_table.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -151,7 +151,7 @@ void PairTable::compute(int eflag, int vflag)
		rsq_lookup.f = rsq;
		itable = rsq_lookup.i & tb->nmask;
		itable >>= tb->nshiftbits;
		fraction = (rsq_lookup.f - tb->rsq[itable]) * tb->drsq[itable];
		fraction = (rsq - tb->rsq[itable]) * tb->drsq[itable];
		value = tb->f[itable] + fraction*tb->df[itable];
		fpair = factor_lj * value;
		}
		@@ -1021,7 +1021,7 @@ double PairTable::single(int i, int j, int itype, int jtype, double rsq,
		rsq_lookup.f = rsq;
		itable = rsq_lookup.i & tb->nmask;
		itable >>= tb->nshiftbits;
		fraction = (rsq_lookup.f - tb->rsq[itable]) * tb->drsq[itable];
		fraction = (rsq - tb->rsq[itable]) * tb->drsq[itable];
		value = tb->f[itable] + fraction*tb->df[itable];
		fforce = factor_lj * value;
		}