| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/src/ |
| H A D | delaunay.c | 44 static int delaunay_reduce(double red_lattice[3][3],
53 static int delaunay_reduce_2D(double red_lattice[3][3],
87 static int delaunay_reduce(double red_lattice[3][3], in delaunay_reduce()
112 red_lattice[i][j] = basis[j][i]; in delaunay_reduce()
116 volume = mat_get_determinant_d3(red_lattice); in delaunay_reduce()
126 red_lattice[i][j] = -red_lattice[i][j]; in delaunay_reduce()
236 static int delaunay_reduce_2D(double red_lattice[3][3], in delaunay_reduce_2D()
279 red_lattice[j][i] = lattice[j][i]; in delaunay_reduce_2D()
283 red_lattice[j][i] = basis[k][j]; in delaunay_reduce_2D()
289 volume = mat_get_determinant_d3(red_lattice); in delaunay_reduce_2D()
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| H A D | spglib.c | 808 double red_lattice[3][3]; in spg_delaunay_reduce() local
810 succeeded = del_delaunay_reduce(red_lattice, lattice, symprec); in spg_delaunay_reduce()
815 lattice[i][j] = red_lattice[i][j]; in spg_delaunay_reduce()
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| /dports/science/py-spglib/spglib-1.16.2/src/ |
| H A D | delaunay.c | 45 static int delaunay_reduce(double red_lattice[3][3],
54 static int delaunay_reduce_2D(double red_lattice[3][3],
88 static int delaunay_reduce(double red_lattice[3][3], in delaunay_reduce()
116 red_lattice[i][j] = basis[j][i]; in delaunay_reduce()
120 volume = mat_get_determinant_d3(red_lattice); in delaunay_reduce()
131 red_lattice[i][j] = -red_lattice[i][j]; in delaunay_reduce()
136 mat_inverse_matrix_d3(tmp_mat, red_lattice, symprec); in delaunay_reduce()
293 red_lattice[j][i] = lattice[j][i]; in delaunay_reduce_2D()
297 red_lattice[j][i] = basis[k][j]; in delaunay_reduce_2D()
303 volume = mat_get_determinant_d3(red_lattice); in delaunay_reduce_2D()
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| H A D | spglib.c | 958 double red_lattice[3][3]; in spg_delaunay_reduce() local
960 succeeded = del_delaunay_reduce(red_lattice, lattice, symprec); in spg_delaunay_reduce()
965 lattice[i][j] = red_lattice[i][j]; in spg_delaunay_reduce()
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| /dports/science/gabedit/GabeditSrc251_300720/spglib/ |
| H A D | delaunay.c | 44 static int delaunay_reduce(double red_lattice[3][3],
53 static int delaunay_reduce_2D(double red_lattice[3][3],
87 static int delaunay_reduce(double red_lattice[3][3], in delaunay_reduce()
113 red_lattice[i][j] = basis[j][i]; in delaunay_reduce()
117 volume = mat_get_determinant_d3(red_lattice); in delaunay_reduce()
128 red_lattice[i][j] = -red_lattice[i][j]; in delaunay_reduce()
133 mat_inverse_matrix_d3(tmp_mat, red_lattice, symprec); in delaunay_reduce()
290 red_lattice[j][i] = lattice[j][i]; in delaunay_reduce_2D()
294 red_lattice[j][i] = basis[k][j]; in delaunay_reduce_2D()
300 volume = mat_get_determinant_d3(red_lattice); in delaunay_reduce_2D()
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| H A D | spglib.c | 807 double red_lattice[3][3]; in spg_delaunay_reduce() local
809 succeeded = del_delaunay_reduce(red_lattice, lattice, symprec); in spg_delaunay_reduce()
814 lattice[i][j] = red_lattice[i][j]; in spg_delaunay_reduce()
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| /dports/science/spglib/spglib-1.16.2/src/ |
| H A D | delaunay.c | 45 static int delaunay_reduce(double red_lattice[3][3],
54 static int delaunay_reduce_2D(double red_lattice[3][3],
88 static int delaunay_reduce(double red_lattice[3][3], in delaunay_reduce()
116 red_lattice[i][j] = basis[j][i]; in delaunay_reduce()
120 volume = mat_get_determinant_d3(red_lattice); in delaunay_reduce()
131 red_lattice[i][j] = -red_lattice[i][j]; in delaunay_reduce()
136 mat_inverse_matrix_d3(tmp_mat, red_lattice, symprec); in delaunay_reduce()
293 red_lattice[j][i] = lattice[j][i]; in delaunay_reduce_2D()
297 red_lattice[j][i] = basis[k][j]; in delaunay_reduce_2D()
303 volume = mat_get_determinant_d3(red_lattice); in delaunay_reduce_2D()
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| H A D | spglib.c | 958 double red_lattice[3][3]; in spg_delaunay_reduce() local
960 succeeded = del_delaunay_reduce(red_lattice, lattice, symprec); in spg_delaunay_reduce()
965 lattice[i][j] = red_lattice[i][j]; in spg_delaunay_reduce()
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| /dports/science/berkeleygw/BGW-2.0.0/MeanField/spglib-1.0.9/ |
| H A D | lattice.c | 37 static int get_Delaunay_reduction( double red_lattice[3][3],
157 static int get_Delaunay_reduction( double red_lattice[3][3], in get_Delaunay_reduction()
177 red_lattice[i][j] = basis[j][i]; in get_Delaunay_reduction()
181 volume = mat_get_determinant_d3( red_lattice ); in get_Delaunay_reduction()
191 red_lattice[i][j] = -red_lattice[i][j]; in get_Delaunay_reduction()
199 debug_print_matrix_d3(red_lattice); in get_Delaunay_reduction()
201 mat_get_metric( metric, red_lattice ); in get_Delaunay_reduction()
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| /dports/science/py-phonopy/phonopy-2.11.0/phonopy/interface/ |
| H A D | wien2k.py | 296 red_lattice = []
299 red_lattice.append(v / np.sqrt(np.vdot(v, v)))
308 forces.append(np.dot([fx, fy, fz], red_lattice))
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| /dports/science/phonopy/phonopy-2.11.0/phonopy/interface/ |
| H A D | wien2k.py | 296 red_lattice = []
299 red_lattice.append(v / np.sqrt(np.vdot(v, v)))
308 forces.append(np.dot([fx, fy, fz], red_lattice))
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