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Fix memory leak #278

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merged 1 commit into from
Sep 23, 2024
Merged

Fix memory leak #278

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22 changes: 10 additions & 12 deletions c/real_to_reciprocal.c
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Original file line number Diff line number Diff line change
Expand Up @@ -80,8 +80,8 @@ void r2r_real_to_reciprocal(lapack_complex_double *fc3_reciprocal,
const AtomTriplets *atom_triplets,
const long openmp_per_triplets) {
long i, j, num_band, num_patom, num_satom, adrs_vec;
lapack_complex_double *pre_phase_factors, *phase_factor0, *phase_factor1,
*phase_factor2;
lapack_complex_double *pre_phase_factors, *phase_factors, *phase_factor0,
*phase_factor1, *phase_factor2;

num_patom = atom_triplets->multi_dims[1];
num_satom = atom_triplets->multi_dims[0];
Expand All @@ -92,12 +92,11 @@ void r2r_real_to_reciprocal(lapack_complex_double *fc3_reciprocal,
pre_phase_factors[i] = get_pre_phase_factor(i, q_vecs, atom_triplets);
}

phase_factor0 = (lapack_complex_double *)malloc(
sizeof(lapack_complex_double) * num_patom * num_satom);
phase_factor1 = (lapack_complex_double *)malloc(
sizeof(lapack_complex_double) * num_patom * num_satom);
phase_factor2 = (lapack_complex_double *)malloc(
sizeof(lapack_complex_double) * num_patom * num_satom);
phase_factors = (lapack_complex_double *)malloc(
sizeof(lapack_complex_double) * 3 * num_patom * num_satom);
phase_factor0 = phase_factors;
phase_factor1 = phase_factors + num_patom * num_satom;
phase_factor2 = phase_factors + 2 * num_patom * num_satom;
for (i = 0; i < num_patom; i++) {
for (j = 0; j < num_satom; j++) {
adrs_vec = j * atom_triplets->multi_dims[1] + i;
Expand Down Expand Up @@ -132,11 +131,10 @@ void r2r_real_to_reciprocal(lapack_complex_double *fc3_reciprocal,

free(pre_phase_factors);
pre_phase_factors = NULL;
free(phase_factor0);
free(phase_factors);
phase_factors = NULL;
phase_factor0 = NULL;
phase_factor1 = NULL;
free(phase_factor1);
phase_factor1 = NULL;
free(phase_factor2);
phase_factor2 = NULL;
}

Expand Down
6 changes: 3 additions & 3 deletions phono3py/phonon3/interaction.py
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Original file line number Diff line number Diff line change
Expand Up @@ -304,7 +304,7 @@ def primitive_symmetry(self) -> Symmetry:

def get_triplets_at_q(
self,
) -> tuple(np.ndarray, np.ndarray, np.ndarray, np.ndarray):
) -> tuple[np.ndarray, np.ndarray, np.ndarray, np.ndarray]:
"""Return grid point triplets information.

triplets_at_q is in BZ-grid.
Expand Down Expand Up @@ -414,7 +414,7 @@ def get_zero_value_positions(self):
)
return self.zero_value_positions

def get_phonons(self) -> tuple(np.ndarray, np.ndarray, np.ndarray):
def get_phonons(self) -> tuple[np.ndarray, np.ndarray, np.ndarray]:
"""Return phonons on grid.

Returns
Expand Down Expand Up @@ -538,7 +538,7 @@ def get_averaged_interaction(self):

def get_primitive_and_supercell_correspondence(
self,
) -> tuple(np.ndarray, np.ndarray, np.ndarray, np.ndarray, np.ndarray):
) -> tuple[np.ndarray, np.ndarray, np.ndarray, np.ndarray, np.ndarray]:
"""Return atomic pair information."""
return (self._svecs, self._multi, self._p2s, self._s2p, self._masses)

Expand Down
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