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-rw-r--r--science/py-spglib/files/quick-test.py39
1 files changed, 0 insertions, 39 deletions
diff --git a/science/py-spglib/files/quick-test.py b/science/py-spglib/files/quick-test.py
deleted file mode 100644
index c73b1e342b42..000000000000
--- a/science/py-spglib/files/quick-test.py
+++ /dev/null
@@ -1,39 +0,0 @@
-import numpy as np
-import spglib
-
-lattice = np.array([[0.0, 0.5, 0.5],
- [0.5, 0.0, 0.5],
- [0.5, 0.5, 0.0]]) * 5.4
-positions = [[0.875, 0.875, 0.875],
- [0.125, 0.125, 0.125]]
-numbers= [1,] * 2
-cell = (lattice, positions, numbers)
-print(spglib.get_spacegroup(cell, symprec=1e-5))
-mesh = [8, 8, 8]
-
-#
-# Gamma centre mesh
-#
-mapping, grid = spglib.get_ir_reciprocal_mesh(mesh, cell, is_shift=[0, 0, 0])
-
-# All k-points and mapping to ir-grid points
-for i, (ir_gp_id, gp) in enumerate(zip(mapping, grid)):
- print("%3d ->%3d %s" % (i, ir_gp_id, gp.astype(float) / mesh))
-
-# Irreducible k-points
-print("Number of ir-kpoints: %d" % len(np.unique(mapping)))
-print(grid[np.unique(mapping)] / np.array(mesh, dtype=float))
-
-#
-# With shift
-#
-mapping, grid = spglib.get_ir_reciprocal_mesh(mesh, cell, is_shift=[1, 1, 1])
-
-# All k-points and mapping to ir-grid points
-for i, (ir_gp_id, gp) in enumerate(zip(mapping, grid)):
- print("%3d ->%3d %s" % (i, ir_gp_id, (gp + [0.5, 0.5, 0.5]) / mesh))
-
-# Irreducible k-points
-print("Number of ir-kpoints: %d" % len(np.unique(mapping)))
-print((grid[np.unique(mapping)] + [0.5, 0.5, 0.5]) / mesh)
-