fix bug where per atom data for USER-OMP was reducing the wrong arrays with hybrid styles (8b7bd9d8) · Commits · 郑智淋 / lammps

src/USER-OMP/thr_omp.cpp

+3 −2

Original line number	Diff line number	Diff line
		@@ -170,9 +170,8 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
		switch (thr_style) {

		case THR_PAIR: {
		Pair * const pair = lmp->force->pair;

		if (pair->vflag_fdotr) {
		if (lmp->force->pair->vflag_fdotr) {

		// this is a non-hybrid pair style. compute per thread fdotr
		if (fix->last_pair_hybrid == NULL) {
		@@ -192,6 +191,8 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
		}

		if (evflag) {
		Pair * const pair = (Pair *)style;

		#if defined(_OPENMP)
		#pragma omp critical
		#endif