Merge pull request #215 from timattox/USER-DPD_bugfix_for_dtsqrt (4e3a5504) · Commits · 郑智淋 / lammps

src/USER-DPD/fix_shardlow.cpp

+2 −9

Original line number	Diff line number	Diff line
		@@ -114,8 +114,6 @@ FixShardlow::FixShardlow(LAMMPS lmp, int narg, char *arg) :
		atom->add_callback(0); // grow (aka exchange)
		atom->add_callback(1); // restart
		atom->add_callback(2); // border

		reset_dt();
		}

		/* ---------------------------------------------------------------------- */
		@@ -169,13 +167,6 @@ void FixShardlow::min_setup_pre_exchange()

		/* ---------------------------------------------------------------------- */

		void FixShardlow::reset_dt()
		{
		dtsqrt = sqrt(update->dt);
		}

		/* ---------------------------------------------------------------------- */

		void FixShardlow::setup(int vflag)
		{
		bool fixShardlow = false;
		@@ -452,6 +443,8 @@ void FixShardlow::initial_integrate(int vflag)
		inum = list->inum;
		ilist = list->ilist;

		dtsqrt = sqrt(update->dt);

		//Loop over all 14 directions (8 stages)
		for (airnum = 1; airnum <=8; airnum++){

+0 −2

Original line number	Diff line number	Diff line
		@@ -40,8 +40,6 @@ class FixShardlow : public Fix {
		void copy_arrays(int, int, int);
		void set_arrays(int);

		void reset_dt();

		int pack_border(int, int , double );
		int unpack_border(int, int, double *);
		int unpack_exchange(int, double *);