Fixup partialVirial bug in pair_kim (da944147) · Commits · 郑智淋 / lammps

src/KIM/pair_kim.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -723,11 +723,11 @@ void PairKIM::set_volatiles()
		if(vflag_atom != 1) {
		kimerror = kimerror \|\| pargs->SetArgumentPointer(
		KIM::COMPUTE_ARGUMENT_NAME::partialParticleVirial,
		&(vatom[0][0]));
		reinterpret_cast<double const * const>(NULL));
		} else {
		kimerror = kimerror \|\| pargs->SetArgumentPointer(
		KIM::COMPUTE_ARGUMENT_NAME::partialParticleVirial,
		reinterpret_cast<double const * const>(NULL));
		&(vatom[0][0]));
		}
		}