Merge pull request #299 from andaero/master

Support tuples for random_crystal
MaterSim · Jan 13, 2025 · 0cf3921 · 0cf3921
2 parents 8dc7dfe + dbdcf73
commit 0cf3921
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/pyxtal/crystal.py b/pyxtal/crystal.py
@@ -404,6 +404,9 @@ def _check_consistency(self, site, numIon):
             if isinstance(s, dict):
                 for key in s:
                     num += int(key[:-1])
+            elif isinstance(s, tuple):
+                (letter, x, y, z) = s
+                num += int(letter[:-1])
             else:
                 num += int(s[:-1])
         if numIon == num: