remove superfluous code (705f66aa) · Commits · 郑智淋 / lammps

src/USER-MISC/compute_pressure_grem.cpp

+0 −1

Original line number	Diff line number	Diff line
		@@ -124,7 +124,6 @@ void ComputePressureGrem::compute_vector()
		if (keflag) {
		if (temperature->invoked_vector != update->ntimestep)
		temperature->compute_vector();
		ke_tensor = temperature->vector;
		for (int i = 0; i < 6; ++i)
		ke_tensor[i] = temperature->vector[i] / (*scale_grem);
		}

+4 −7

Original line number	Diff line number	Diff line
		@@ -82,7 +82,6 @@ FixGrem::FixGrem(LAMMPS lmp, int narg, char *arg) :
		newarg[2] = (char *) "temp";
		modify->add_compute(3,newarg);
		delete [] newarg;
		tflag = 1;

		// create a new compute pressure style
		// id = fix-ID + press, compute group = all
		@@ -116,7 +115,6 @@ FixGrem::FixGrem(LAMMPS lmp, int narg, char *arg) :
		newarg[2] = (char *) "ke";
		modify->add_compute(3,newarg);
		delete [] newarg;
		keflag = 1;

		// create a new compute pe style
		// id = fix-ID + pe
		@@ -132,7 +130,6 @@ FixGrem::FixGrem(LAMMPS lmp, int narg, char *arg) :
		newarg[2] = (char *) "pe";
		modify->add_compute(3,newarg);
		delete [] newarg;
		peflag = 1;

		}

		@@ -142,10 +139,10 @@ FixGrem::~FixGrem()
		{
		// delete temperature, pressure and energies if fix created them

		if (tflag) modify->delete_compute(id_temp);
		if (pflag) modify->delete_compute(id_press);
		if (keflag) modify->delete_compute(id_ke);
		if (peflag) modify->delete_compute(id_pe);
		modify->delete_compute(id_temp);
		modify->delete_compute(id_press);
		modify->delete_compute(id_ke);
		modify->delete_compute(id_pe);
		delete [] id_temp;
		delete [] id_press;
		delete [] id_ke;