add unit tests for extracting lattice spacings

2024-08-25 00:41:58 -04:00
parent 6c13e8d053
commit 67bba08b3d
2 changed files with 30 additions and 0 deletions
--- a/unittest/python/python-commands.py
+++ b/unittest/python/python-commands.py
@ -656,6 +656,9 @@ create_atoms 1 single &
        self.assertEqual(self.lmp.extract_global("map_tag_max"), -1)
        self.assertEqual(self.lmp.extract_global("sortfreq"), 1000)
        self.assertEqual(self.lmp.extract_global("nextsort"), 0)
+        self.assertEqual(self.lmp.extract_global("xlattice"), 1.0)
+        self.assertEqual(self.lmp.extract_global("ylattice"), 1.0)
+        self.assertEqual(self.lmp.extract_global("zlattice"), 1.0)

        # set and initialize r-RESPA
        self.lmp.command("run_style respa 3 5 2 pair 2 kspace 3")