static void real_to_normal(double *fc3_normal_squared,
const double *freqs0,
const double *freqs1,
const double *freqs2,
const lapack_complex_double *eigvecs0,
const lapack_complex_double *eigvecs1,
const lapack_complex_double *eigvecs2,
const Darray *fc3,
const int *atc, //atom triplet cut off
const int *atc_rec,
const char* g_skip,
const double q[9], /* q0, q1, q2 */
const Darray *shortest_vectors,
const Iarray *multiplicity,
const double *masses,
const int *p2s_map,
const int *s2p_map,
const int *band_indices,
const int num_band0,
const int num_band,
const int pos_band0,
const double cutoff_frequency,
const double cutoff_hfrequency,
const double cutoff_delta)
{
int num_patom;
lapack_complex_double *fc3_reciprocal;
num_patom = num_band / 3;
fc3_reciprocal =
(lapack_complex_double*)malloc(sizeof(lapack_complex_double) *
num_patom * num_patom * num_patom * 27);
real_to_reciprocal(fc3_reciprocal,
q,
fc3,
atc,
shortest_vectors,
multiplicity,
p2s_map,
s2p_map);
reciprocal_to_normal(fc3_normal_squared,
fc3_reciprocal,
atc_rec,
freqs0,
freqs1,
freqs2,
eigvecs0,
eigvecs1,
eigvecs2,
masses,
band_indices,
num_band0,
num_band,
pos_band0,
g_skip,
cutoff_frequency,
cutoff_hfrequency,
cutoff_delta);
free(fc3_reciprocal);
}
static void real_to_normal(double *fc3_normal_squared,
const char* g_zero,
const double *freqs0,
const double *freqs1,
const double *freqs2,
const lapack_complex_double *eigvecs0,
const lapack_complex_double *eigvecs1,
const lapack_complex_double *eigvecs2,
const Darray *fc3,
const double q[9], /* q0, q1, q2 */
const Darray *shortest_vectors,
const Iarray *multiplicity,
const double *masses,
const int *p2s_map,
const int *s2p_map,
const int *band_indices,
const int num_band0,
const int num_band,
const double cutoff_frequency,
const int triplet_index,
const int num_triplets,
const int openmp_at_bands)
{
int num_patom;
lapack_complex_double *fc3_reciprocal;
num_patom = num_band / 3;
fc3_reciprocal =
(lapack_complex_double*)malloc(sizeof(lapack_complex_double) *
num_patom * num_patom * num_patom * 27);
real_to_reciprocal(fc3_reciprocal,
q,
fc3,
shortest_vectors,
multiplicity,
p2s_map,
s2p_map,
openmp_at_bands);
if (openmp_at_bands) {
#ifdef MEASURE_R2N
printf("At triplet %d/%d (# of bands=%d):\n",
triplet_index, num_triplets, num_band0);
#endif
reciprocal_to_normal_squared_openmp(fc3_normal_squared,
g_zero,
fc3_reciprocal,
freqs0,
freqs1,
freqs2,
eigvecs0,
eigvecs1,
eigvecs2,
masses,
band_indices,
num_band0,
num_band,
cutoff_frequency);
} else {
reciprocal_to_normal_squared(fc3_normal_squared,
g_zero,
fc3_reciprocal,
freqs0,
freqs1,
freqs2,
eigvecs0,
eigvecs1,
eigvecs2,
masses,
band_indices,
num_band0,
num_band,
cutoff_frequency);
}
free(fc3_reciprocal);
}
