fix loop control bug in qeq/reax/kk (abc3e176) · Commits · 郑智淋 / lammps

src/KOKKOS/fix_qeq_reax_kokkos.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -780,7 +780,7 @@ void FixQEqReaxKokkos<DeviceType>::cg_solve1()

		int loop;
		const int loopmax = 200;
		for (loop = 1; loop < loopmax & sqrt(sig_new)/b_norm > tolerance; loop++) {
		for (loop = 1; (loop < loopmax) && (sqrt(sig_new)/b_norm > tolerance); loop++) {

		// comm->forward_comm_fix(this); //Dist_vector( d );
		pack_flag = 1;
		@@ -919,7 +919,7 @@ void FixQEqReaxKokkos<DeviceType>::cg_solve2()

		int loop;
		const int loopmax = 200;
		for (loop = 1; loop < loopmax & sqrt(sig_new)/b_norm > tolerance; loop++) {
		for (loop = 1; (loop < loopmax) && (sqrt(sig_new)/b_norm > tolerance); loop++) {

		// comm->forward_comm_fix(this); //Dist_vector( d );
		pack_flag = 1;