mirror of https://github.com/phonopy/phono3py.git
Move c files on a flat directory
This commit is contained in:
parent
6e38395615
commit
9d0f335e38
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@ -36,9 +36,9 @@
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#include <stdio.h>
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#include <assert.h>
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#include <numpy/arrayobject.h>
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#include <lapack_wrapper.h>
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#include <phonon.h>
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#include <phonoc_array.h>
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#include "lapack_wrapper.h"
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#include "phonon.h"
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#include "phonoc_array.h"
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static PyObject * py_phonopy_pinv(PyObject *self, PyObject *args);
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static PyObject * py_phonopy_zheev(PyObject *self, PyObject *args);
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@ -39,19 +39,19 @@
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#include <stdlib.h>
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#include <math.h>
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#include <numpy/arrayobject.h>
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#include <lapack_wrapper.h>
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#include <phonon.h>
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#include <phonoc_array.h>
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#include <phonoc_const.h>
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#include <phonon3/fc3.h>
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#include <phonon3/real_self_energy.h>
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#include <phonon3/interaction.h>
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#include <phonon3/imag_self_energy_with_g.h>
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#include <phonon3/pp_collision.h>
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#include <phonon3/collision_matrix.h>
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#include <other/isotope.h>
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#include <triplet/triplet.h>
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#include <tetrahedron_method.h>
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#include "lapack_wrapper.h"
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#include "phonon.h"
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#include "phonoc_array.h"
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#include "phonoc_const.h"
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#include "fc3.h"
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#include "real_self_energy.h"
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#include "interaction.h"
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#include "imag_self_energy_with_g.h"
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#include "pp_collision.h"
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#include "collision_matrix.h"
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#include "isotope.h"
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#include "triplet.h"
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#include "tetrahedron_method.h"
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static PyObject * py_get_phonons_at_gridpoints(PyObject *self, PyObject *args);
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static PyObject * py_get_interaction(PyObject *self, PyObject *args);
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@ -35,9 +35,9 @@
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#include <stdio.h>
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#include <stdlib.h>
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#include <math.h>
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#include <phonoc_array.h>
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#include <phonoc_utils.h>
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#include <phonon3/collision_matrix.h>
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#include "phonoc_array.h"
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#include "phonoc_utils.h"
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#include "collision_matrix.h"
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static void get_collision_matrix(double *collision_matrix,
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const double *fc3_normal_squared,
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@ -35,7 +35,7 @@
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#ifndef __collision_matrix_H__
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#define __collision_matrix_H__
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#include <phonoc_array.h>
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#include "phonoc_array.h"
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void col_get_collision_matrix(double *collision_matrix,
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const Darray *fc3_normal_squared,
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@ -34,7 +34,7 @@
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#include <math.h>
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#include <stdlib.h>
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#include <dynmat.h>
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#include "dynmat.h"
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#define PI 3.14159265358979323846
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static void get_dynmat_ij(double *dynamical_matrix,
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@ -33,8 +33,8 @@
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/* POSSIBILITY OF SUCH DAMAGE. */
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#include <stdlib.h>
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#include <phonoc_const.h>
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#include <phonon3/fc3.h>
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#include "phonoc_const.h"
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#include "fc3.h"
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static void rotate_delta_fc2s(double (*rot_delta_fc2s)[3][3],
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const size_t i_atom,
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@ -35,11 +35,11 @@
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#include <stdio.h>
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#include <stdlib.h>
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#include <stddef.h>
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#include <phonoc_array.h>
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#include <phonoc_utils.h>
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#include <phonoc_const.h>
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#include <phonon3/imag_self_energy_with_g.h>
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#include <triplet/triplet.h>
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#include "phonoc_array.h"
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#include "phonoc_utils.h"
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#include "phonoc_const.h"
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#include "imag_self_energy_with_g.h"
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#include "triplet.h"
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static int ise_set_g_pos_frequency_point(int (*g_pos)[4],
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const size_t num_band0,
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@ -36,7 +36,7 @@
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#define __imag_self_energy_with_g_H__
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#include <stddef.h>
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#include <phonoc_array.h>
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#include "phonoc_array.h"
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void ise_get_imag_self_energy_at_bands_with_g(double *imag_self_energy,
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const Darray *fc3_normal_squared,
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@ -34,13 +34,13 @@
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#include <stdio.h>
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#include <stdlib.h>
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#include <phonoc_array.h>
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#include <phonoc_const.h>
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#include <phonon3/interaction.h>
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#include <phonon3/imag_self_energy_with_g.h>
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#include <phonon3/real_to_reciprocal.h>
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#include <phonon3/reciprocal_to_normal.h>
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#include <lapack_wrapper.h>
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#include "phonoc_array.h"
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#include "phonoc_const.h"
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#include "interaction.h"
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#include "imag_self_energy_with_g.h"
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#include "real_to_reciprocal.h"
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#include "reciprocal_to_normal.h"
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#include "lapack_wrapper.h"
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static const int index_exchange[6][3] = {{0, 1, 2},
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{2, 0, 1},
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@ -35,8 +35,8 @@
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#ifndef __interaction_H__
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#define __interaction_H__
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#include <phonoc_array.h>
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#include <lapack_wrapper.h>
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#include "phonoc_array.h"
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#include "lapack_wrapper.h"
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void itr_get_interaction(Darray *fc3_normal_squared,
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const char *g_zero,
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@ -33,10 +33,10 @@
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/* POSSIBILITY OF SUCH DAMAGE. */
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#include <stdlib.h>
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#include <phonoc_const.h>
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#include <phonoc_utils.h>
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#include <other/isotope.h>
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#include <lapack_wrapper.h>
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#include "phonoc_const.h"
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#include "phonoc_utils.h"
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#include "isotope.h"
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#include "lapack_wrapper.h"
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void
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iso_get_isotope_scattering_strength(double *gamma,
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#ifndef __isotope_H__
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#define __isotope_H__
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#include <lapack_wrapper.h>
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#include "lapack_wrapper.h"
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void
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iso_get_isotope_scattering_strength(double *gamma,
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@ -32,7 +32,7 @@
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/* ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE */
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/* POSSIBILITY OF SUCH DAMAGE. */
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#include <lapack_wrapper.h>
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#include "lapack_wrapper.h"
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#define min(a,b) ((a)>(b)?(b):(a))
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@ -34,8 +34,8 @@
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#include <Python.h>
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#include <numpy/arrayobject.h>
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#include <phonoc_array.h>
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#include <lapack_wrapper.h>
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#include "phonoc_array.h"
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#include "lapack_wrapper.h"
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Iarray* convert_to_iarray(const PyArrayObject* npyary)
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{
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@ -37,7 +37,7 @@
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#include <Python.h>
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#include <numpy/arrayobject.h>
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#include <lapack_wrapper.h>
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#include "lapack_wrapper.h"
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#define MAX_NUM_DIM 20
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/* POSSIBILITY OF SUCH DAMAGE. */
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#include <math.h>
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#include <dynmat.h>
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#include <phonoc_array.h>
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#include <phonoc_const.h>
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#include <phonoc_utils.h>
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#include <lapack_wrapper.h>
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#include "dynmat.h"
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#include "phonoc_array.h"
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#include "phonoc_const.h"
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#include "phonoc_utils.h"
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#include "lapack_wrapper.h"
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#define THZTOEVPARKB 47.992398658977166
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#define INVSQRT2PI 0.3989422804014327
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#ifndef __phonoc_utils_H__
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#define __phonoc_utils_H__
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#include <phonoc_array.h>
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#include <lapack_wrapper.h>
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#include "phonoc_array.h"
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#include "lapack_wrapper.h"
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double bose_einstein(const double x, const double t);
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double gaussian(const double x, const double sigma);
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#include <math.h>
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#include <string.h>
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#include <stddef.h>
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#include <dynmat.h>
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#include <phonon.h>
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#include <lapack_wrapper.h>
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#include "dynmat.h"
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#include "phonon.h"
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#include "lapack_wrapper.h"
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static size_t collect_undone_grid_points(size_t *undone,
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char *phonon_done,
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#ifndef __phonon_H__
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#define __phonon_H__
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#include <dynmat.h>
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#include <lapack_wrapper.h>
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#include "dynmat.h"
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#include "lapack_wrapper.h"
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void
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phn_get_phonons_at_gridpoints(double *frequencies,
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#include <stdio.h>
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#include <stdlib.h>
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#include <phonoc_array.h>
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#include <phonoc_const.h>
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#include <phonoc_utils.h>
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#include <phonon3/imag_self_energy_with_g.h>
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#include <phonon3/pp_collision.h>
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#include <phonon3/interaction.h>
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#include <triplet/triplet.h>
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#include <triplet/triplet_iw.h>
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#include <lapack_wrapper.h>
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#include "phonoc_array.h"
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#include "phonoc_const.h"
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#include "phonoc_utils.h"
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#include "imag_self_energy_with_g.h"
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#include "pp_collision.h"
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#include "interaction.h"
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#include "triplet.h"
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#include "triplet_iw.h"
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#include "lapack_wrapper.h"
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static void get_collision(double *ise,
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const size_t num_band0,
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#ifndef __pp_collision_H__
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#define __pp_collision_H__
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#include <phonoc_array.h>
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#include <phonoc_const.h>
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#include <lapack_wrapper.h>
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#include "phonoc_array.h"
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#include "phonoc_const.h"
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#include "lapack_wrapper.h"
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void ppc_get_pp_collision(double *imag_self_energy,
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PHPYCONST int relative_grid_address[24][4][3],
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#include <stdlib.h>
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#include <math.h>
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#include <phonoc_array.h>
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#include <phonoc_utils.h>
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#include <phonon3/real_self_energy.h>
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#include <phonon3/real_to_reciprocal.h>
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#include "phonoc_array.h"
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#include "phonoc_utils.h"
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#include "real_self_energy.h"
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#include "real_to_reciprocal.h"
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static double get_real_self_energy_at_band(const int band_index,
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const Darray *fc3_normal_squared,
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#ifndef __real_self_energy_H__
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#define __real_self_energy_H__
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#include <phonoc_array.h>
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#include "phonoc_array.h"
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#endif
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#include <stdio.h>
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#include <stdlib.h>
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#include <math.h>
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#include <phonoc_array.h>
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#include <phonoc_const.h>
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#include <phonoc_utils.h>
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#include <phonon3/real_to_reciprocal.h>
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#include <lapack_wrapper.h>
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#include "phonoc_array.h"
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#include "phonoc_const.h"
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#include "phonoc_utils.h"
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#include "real_to_reciprocal.h"
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#include "lapack_wrapper.h"
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static void
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real_to_reciprocal_single_thread(lapack_complex_double *fc3_reciprocal,
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#ifndef __real_to_reciprocal_H__
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#define __real_to_reciprocal_H__
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#include <phonoc_array.h>
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#include <lapack_wrapper.h>
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#include "phonoc_array.h"
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#include "lapack_wrapper.h"
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void r2r_real_to_reciprocal(lapack_complex_double *fc3_reciprocal,
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const double q[9],
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#include <stdlib.h>
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#include <math.h>
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#include <phonoc_utils.h>
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#include <phonoc_const.h>
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#include <phonoc_array.h>
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#include <phonon3/reciprocal_to_normal.h>
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#include <lapack_wrapper.h>
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#include "phonoc_utils.h"
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#include "phonoc_const.h"
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#include "phonoc_array.h"
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#include "reciprocal_to_normal.h"
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#include "lapack_wrapper.h"
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#ifdef MEASURE_R2N
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#include <unistd.h>
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#ifndef __reciprocal_to_normal_H__
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#define __reciprocal_to_normal_H__
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#include <phonoc_array.h>
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#include <phonoc_const.h>
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#include <lapack_wrapper.h>
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#include "phonoc_array.h"
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#include "phonoc_const.h"
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#include "lapack_wrapper.h"
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void reciprocal_to_normal_squared
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(double *fc3_normal_squared,
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/* Copyright (C) 2014 Atsushi Togo */
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#include <stddef.h>
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#include <kgrid.h>
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#include "kgrid.h"
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#include "tetrahedron_method.h"
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#ifdef THMWARNING
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@ -36,9 +36,9 @@
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#include <stddef.h>
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#include <mathfunc.h>
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#include <triplet/triplet.h>
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#include <triplet/triplet_iw.h>
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#include <triplet/triplet_kpoint.h>
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#include "triplet.h"
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#include "triplet_iw.h"
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#include "triplet_kpoint.h"
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static size_t get_triplets_reciprocal_mesh_at_q(size_t *map_triplets,
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size_t *map_q,
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#include <stddef.h>
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#include <math.h>
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#include <phonoc_utils.h>
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#include <triplet/triplet.h>
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#include <triplet/triplet_iw.h>
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#include <tetrahedron_method.h>
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#include "phonoc_utils.h"
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#include "triplet.h"
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#include "triplet_iw.h"
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#include "tetrahedron_method.h"
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static void set_freq_vertices(double freq_vertices[3][24][4],
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const double *frequencies1,
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#define __triplet_iw_H__
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#include <stddef.h>
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#include <triplet/triplet.h>
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#include "triplet.h"
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void
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tpi_get_integration_weight(double *iw,
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#include <stddef.h>
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#include <stdlib.h>
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#include <mathfunc.h>
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#include <kpoint.h>
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#include <kgrid.h>
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#include <triplet/triplet.h>
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#include <triplet/triplet_kpoint.h>
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#include "mathfunc.h"
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#include "kpoint.h"
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#include "kgrid.h"
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#include "triplet.h"
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#include "triplet_kpoint.h"
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#define KPT_NUM_BZ_SEARCH_SPACE 125
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static int bz_search_space[KPT_NUM_BZ_SEARCH_SPACE][3] = {
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@ -38,8 +38,8 @@
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#define __triplet_kpoint_H__
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#include <stddef.h>
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#include <mathfunc.h>
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#include <triplet/triplet.h>
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#include "mathfunc.h"
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#include "triplet.h"
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size_t tpk_get_ir_triplets_at_q(size_t *map_triplets,
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size_t *map_q,
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57
setup.py
57
setup.py
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@ -35,33 +35,30 @@ if (config_var is not None and
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"-Werror=declaration-after-statement", "")
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sources = ['c/_phono3py.c',
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'c/harmonic/dynmat.c',
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'c/harmonic/phonon.c',
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'c/harmonic/lapack_wrapper.c',
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'c/harmonic/phonoc_array.c',
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'c/harmonic/phonoc_utils.c',
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'c/anharmonic/phonon3/fc3.c',
|
||||
'c/anharmonic/phonon3/real_self_energy.c',
|
||||
'c/anharmonic/phonon3/interaction.c',
|
||||
'c/anharmonic/phonon3/real_to_reciprocal.c',
|
||||
'c/anharmonic/phonon3/reciprocal_to_normal.c',
|
||||
'c/anharmonic/phonon3/imag_self_energy_with_g.c',
|
||||
'c/anharmonic/phonon3/pp_collision.c',
|
||||
'c/anharmonic/phonon3/collision_matrix.c',
|
||||
'c/anharmonic/other/isotope.c',
|
||||
'c/anharmonic/triplet/triplet.c',
|
||||
'c/anharmonic/triplet/triplet_kpoint.c',
|
||||
'c/anharmonic/triplet/triplet_iw.c',
|
||||
'c/spglib/mathfunc.c',
|
||||
'c/spglib/kpoint.c',
|
||||
'c/kspclib/kgrid.c',
|
||||
'c/kspclib/tetrahedron_method.c']
|
||||
'c/dynmat.c',
|
||||
'c/phonon.c',
|
||||
'c/lapack_wrapper.c',
|
||||
'c/phonoc_array.c',
|
||||
'c/phonoc_utils.c',
|
||||
'c/fc3.c',
|
||||
'c/real_self_energy.c',
|
||||
'c/interaction.c',
|
||||
'c/real_to_reciprocal.c',
|
||||
'c/reciprocal_to_normal.c',
|
||||
'c/imag_self_energy_with_g.c',
|
||||
'c/pp_collision.c',
|
||||
'c/collision_matrix.c',
|
||||
'c/isotope.c',
|
||||
'c/triplet.c',
|
||||
'c/triplet_kpoint.c',
|
||||
'c/triplet_iw.c',
|
||||
'c/mathfunc.c',
|
||||
'c/kpoint.c',
|
||||
'c/kgrid.c',
|
||||
'c/tetrahedron_method.c']
|
||||
|
||||
extra_compile_args = ['-fopenmp', ]
|
||||
include_dirs = ['c/harmonic',
|
||||
'c/anharmonic',
|
||||
'c/spglib',
|
||||
'c/kspclib'] + include_dirs_numpy
|
||||
include_dirs = ['c', ] + include_dirs_numpy
|
||||
define_macros = []
|
||||
|
||||
extra_link_args_lapacke = []
|
||||
|
@ -259,11 +256,11 @@ scripts_phono3py = ['scripts/phono3py',
|
|||
include_dirs_lapackepy = (['c/harmonic',] + include_dirs_numpy
|
||||
+ include_dirs_lapacke)
|
||||
sources_lapackepy = ['c/_lapackepy.c',
|
||||
'c/harmonic/dynmat.c',
|
||||
'c/harmonic/phonon.c',
|
||||
'c/harmonic/phonoc_array.c',
|
||||
'c/harmonic/phonoc_utils.c',
|
||||
'c/harmonic/lapack_wrapper.c']
|
||||
'c/dynmat.c',
|
||||
'c/phonon.c',
|
||||
'c/phonoc_array.c',
|
||||
'c/phonoc_utils.c',
|
||||
'c/lapack_wrapper.c']
|
||||
extension_lapackepy = Extension(
|
||||
'phono3py._lapackepy',
|
||||
extra_compile_args=extra_compile_args,
|
||||
|
|
Loading…
Reference in New Issue