(fada1748) · Commits · 郑智淋 / lammps

src/input.cpp

+9 −0

Original line number	Diff line number	Diff line
		@@ -450,6 +450,7 @@ int Input::execute_command()
		else if (!strcmp(command,"thermo_modify")) thermo_modify();
		else if (!strcmp(command,"thermo_style")) thermo_style();
		else if (!strcmp(command,"timestep")) timestep();
		else if (!strcmp(command,"uncompute")) uncompute();
		else if (!strcmp(command,"undump")) undump();
		else if (!strcmp(command,"unfix")) unfix();
		else if (!strcmp(command,"units")) units();
		@@ -1122,6 +1123,14 @@ void Input::timestep()

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

		void Input::uncompute()
		{
		if (narg != 1) error->all("Illegal uncompute command");
		modify->delete_compute(arg[0]);
		}

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

		void Input::undump()
		{
		if (narg != 1) error->all("Illegal undump command");

+1 −0

Original line number	Diff line number	Diff line
		@@ -107,6 +107,7 @@ class Input : protected Pointers {
		void thermo_modify();
		void thermo_style();
		void timestep();
		void uncompute();
		void undump();
		void unfix();
		void units();

+5 −6

Original line number	Diff line number	Diff line
		@@ -95,6 +95,11 @@ Modify::~Modify()
		memory->sfree(fix);
		memory->sfree(fmask);

		// delete all computes

		for (int i = 0; i < ncompute; i++) delete compute[i];
		memory->sfree(compute);

		delete [] list_initial_integrate;
		delete [] list_pre_exchange;
		delete [] list_pre_neighbor;
		@@ -109,15 +114,9 @@ Modify::~Modify()
		delete [] list_min_energy;

		delete [] end_of_step_every;

		delete [] list_timeflag;

		restart_deallocate();

		// delete all computes

		for (int i = 0; i < ncompute; i++) delete compute[i];
		memory->sfree(compute);
		}

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