augment fix shardlow check for ordering fixes to be KOKKOS compatible (f5047ac3) · Commits · 郑智淋 / lammps

src/USER-DPD/fix_shardlow.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -188,7 +188,7 @@ void FixShardlow::setup(int vflag)
		error->all(FLERR,"Cannot use constant temperature integration routines with DPD.");

		for (int i = 0; i < modify->nfix; i++){
		if (strcmp(modify->fix[i]->style,"shardlow") == 0) fixShardlow = true;
		if (strncmp(modify->fix[i]->style,"shardlow",3) == 0) fixShardlow = true;
		if (strncmp(modify->fix[i]->style,"nve",3) == 0 \|\| (strncmp(modify->fix[i]->style,"nph",3) == 0)){
		if(fixShardlow) break;
		else error->all(FLERR,"The deterministic integrator must follow fix shardlow in the input file.");