(26b9b955) · Commits · 郑智淋 / lammps

src/fix_adapt.cpp

+6 −3

Original line number	Diff line number	Diff line
		@@ -321,7 +321,8 @@ void FixAdapt::init()
		delete[] psuffix;
		}
		if (ad->pair == NULL) ad->pair = force->pair_match(pstyle,1,nsub);
		if (ad->pair == NULL) error->all(FLERR,"Fix adapt pair style does not exist");
		if (ad->pair == NULL)
		error->all(FLERR,"Fix adapt pair style does not exist");

		void *ptr = ad->pair->extract(ad->pparam,ad->pdim);
		if (ptr == NULL)
		@@ -329,6 +330,7 @@ void FixAdapt::init()

		// for pair styles only parameters that are 2-d arrays in atom types or
		// scalars are supported

		if (ad->pdim != 2 && ad->pdim != 0)
		error->all(FLERR,"Fix adapt pair style param is not compatible");

		@@ -367,6 +369,7 @@ void FixAdapt::init()
		}

		// make copy of original pair array values

		for (int m = 0; m < nadapt; m++) {
		Adapt *ad = &adapt[m];
		if (ad->which == PAIR && ad->pdim == 2) {