Merge pull request #2116 from jdevemy/master (c34501c1) · Commits · 郑智淋 / lammps

src/USER-MISC/dihedral_nharmonic.cpp

+2 −1

Original line number	Diff line number	Diff line
		@@ -47,7 +47,7 @@ DihedralNHarmonic::~DihedralNHarmonic()
		if (allocated) {
		memory->destroy(setflag);
		for (int i = 1; i <= atom->ndihedraltypes; i++)
		delete [] a[i];
		if ( a[i] ) delete [] a[i];
		delete [] a;
		delete [] nterms;
		}
		@@ -263,6 +263,7 @@ void DihedralNHarmonic::allocate()

		nterms = new int[n+1];
		a = new double *[n+1];
		for (int i = 1; i <= n; i++) a[i] = 0;

		memory->create(setflag,n+1,"dihedral:setflag");
		for (int i = 1; i <= n; i++) setflag[i] = 0;