plug memory leaks in USER-BOCS (095ca76b) · Commits · 郑智淋 / lammps

src/USER-BOCS/compute_pressure_bocs.cpp

+5 −2

Original line number	Diff line number	Diff line
		@@ -52,6 +52,7 @@ ComputePressureBocs::ComputePressureBocs(LAMMPS lmp, int narg, char *arg) :
		timeflag = 1;

		p_match_flag = 0;
		phi_coeff = NULL;

		// store temperature ID used by pressure computation
		// insure it is valid for temperature computation
		@@ -119,6 +120,7 @@ ComputePressureBocs::~ComputePressureBocs()
		delete [] id_temp;
		delete [] vector;
		delete [] vptr;
		if (phi_coeff) free(phi_coeff);
		}

		/* ---------------------------------------------------------------------- */
		@@ -263,6 +265,7 @@ void ComputePressureBocs::send_cg_info(int basis_type, int sent_N_basis,
		p_match_flag = 1;

		N_basis = sent_N_basis;
		if (phi_coeff) free(phi_coeff);
		phi_coeff = ((double *) calloc(N_basis, sizeof(double)) );
		for (int i=0; i<N_basis; i++) { phi_coeff[i] = sent_phi_coeff[i]; }

		@@ -327,10 +330,10 @@ double ComputePressureBocs::compute_scalar()
		if (keflag)
		scalar = (temperature->dof * boltz * t +
		virial[0] + virial[1] + virial[2]) / 3.0 *
		inv_volume * nktv2p + (correction); correction
		inv_volume * nktv2p + (correction);
		else
		scalar = (virial[0] + virial[1] + virial[2]) / 3.0 *
		inv_volume * nktv2p + (correction); correction
		inv_volume * nktv2p + (correction);
		} else {
		if (p_match_flag)
		{

+3 −0

Original line number	Diff line number	Diff line
		@@ -107,6 +107,8 @@ FixBocs::FixBocs(LAMMPS lmp, int narg, char *arg) :
		id_temp = NULL;
		id_press = NULL;

		p_match_coeffs = NULL;

		// turn on tilt factor scaling, whenever applicable

		dimension = domain->dimension;
		@@ -463,6 +465,7 @@ FixBocs::~FixBocs()
		delete [] etap_mass;
		}
		}
		if (p_match_coeffs) free(p_match_coeffs);
		}

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