Add a test script

test/triplets_search.py

@@ -0,0 +1,33 @@
+from anharmonic.phonon3.triplets import get_triplets_at_q
+from phonopy.interface.vasp import read_vasp 
+from phonopy.structure.symmetry import Symmetry
+import numpy as np
+
+cell = read_vasp("POSCAR-unitcell")
+symmetry = Symmetry(cell, 1e-2)
+print symmetry.get_international_table()
+reciprocal_lattice = np.linalg.inv(cell.get_cell())
+mesh = [7, 7, 7]
+
+print reciprocal_lattice
+
+(triplets_at_q,
+ weights_at_q,
+ grid_address,
+ bz_map,
+ triplets_map_at_q,
+ ir_map_at_q)= get_triplets_at_q(74,
+                                 mesh,
+                                 symmetry.get_pointgroup_operations(),
+                                 reciprocal_lattice,
+                                 stores_triplets_map=True)
+
+for triplet in triplets_at_q:
+    sum_q = (grid_address[triplet]).sum(axis=0)
+    if (sum_q % mesh != 0).any():
+        print "============= Warning =================="
+        print triplet
+        for tp in triplet:
+            print grid_address[tp], np.linalg.norm(np.dot(reciprocal_lattice, grid_address[tp] / mesh))
+        print sum_q
+        print "============= Warning =================="