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plug memory leaks in USER-BOCS

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This commit is contained in:
Axel Kohlmeyer
2018-05-05 11:44:21 -04:00
parent f9f8e2bdbe
commit 095ca76b5b
2 changed files with 8 additions and 2 deletions
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7
src/USER-BOCS/compute_pressure_bocs.cpp
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@ -52,6 +52,7 @@ ComputePressureBocs::ComputePressureBocs(LAMMPS *lmp, int narg, char **arg) :
timeflag = 1; timeflag = 1;
p_match_flag = 0; p_match_flag = 0;
phi_coeff = NULL;
// store temperature ID used by pressure computation // store temperature ID used by pressure computation
// insure it is valid for temperature computation // insure it is valid for temperature computation
@ -119,6 +120,7 @@ ComputePressureBocs::~ComputePressureBocs()
delete [] id_temp; delete [] id_temp;
delete [] vector; delete [] vector;
delete [] vptr; 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; p_match_flag = 1;
N_basis = sent_N_basis; N_basis = sent_N_basis;
if (phi_coeff) free(phi_coeff);
phi_coeff = ((double *) calloc(N_basis, sizeof(double)) ); phi_coeff = ((double *) calloc(N_basis, sizeof(double)) );
for (int i=0; i<N_basis; i++) { phi_coeff[i] = sent_phi_coeff[i]; } 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) if (keflag)
scalar = (temperature->dof * boltz * t + scalar = (temperature->dof * boltz * t +
virial[0] + virial[1] + virial[2]) / 3.0 * virial[0] + virial[1] + virial[2]) / 3.0 *
inv_volume * nktv2p + (correction); correction inv_volume * nktv2p + (correction);
else else
scalar = (virial[0] + virial[1] + virial[2]) / 3.0 * scalar = (virial[0] + virial[1] + virial[2]) / 3.0 *
inv_volume * nktv2p + (correction); correction inv_volume * nktv2p + (correction);
} else { } else {
if (p_match_flag) if (p_match_flag)
{ {

3
src/USER-BOCS/fix_bocs.cpp
View File

@ -107,6 +107,8 @@ FixBocs::FixBocs(LAMMPS *lmp, int narg, char **arg) :
id_temp = NULL; id_temp = NULL;
id_press = NULL; id_press = NULL;
p_match_coeffs = NULL;
// turn on tilt factor scaling, whenever applicable // turn on tilt factor scaling, whenever applicable
dimension = domain->dimension; dimension = domain->dimension;
@ -463,6 +465,7 @@ FixBocs::~FixBocs()
delete [] etap_mass; delete [] etap_mass;
} }
} }
if (p_match_coeffs) free(p_match_coeffs);
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */