(de4bb6b1) · Commits · 郑智淋 / lammps

src/PRD/prd.cpp

+4 −1

Original line number	Diff line number	Diff line
		@@ -222,7 +222,7 @@ void PRD::command(int narg, char **arg)

		update->minimize->init();

		// cannot use PRD with time-dependent fixes or regions
		// cannot use PRD with time-dependent fixes or regions or atom sorting

		for (int i = 0; i < modify->nfix; i++)
		if (modify->fix[i]->time_depend)
		@@ -232,6 +232,9 @@ void PRD::command(int narg, char **arg)
		if (domain->regions[i]->dynamic_check())
		error->all("Cannot use PRD with a time-dependent region defined");

		if (atom->sortfreq > 0)
		error->all("Cannot use PRD with atom_modify sort enabled");

		// perform PRD simulation

		if (me_universe == 0 && universe->uscreen)