Bug fix for the computing cartesian coordinates

zhubonan · Apr 21, 2024 · f6982f3 · f6982f3
1 parent 963b129
commit f6982f3
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/castepinput/__init__.py b/castepinput/__init__.py
@@ -4,5 +4,5 @@
 from .inputs import ParamInput, CellInput
 from .common import Block
 
-__version__ = '0.1.8'
+__version__ = '0.1.9'
 __all__ = ['Block', 'ParamInput', 'CellInput']
diff --git a/castepinput/inputs.py b/castepinput/inputs.py
@@ -172,7 +172,7 @@ def get_positions(self):
         if is_frac:
             # We need to multiple the positions with cells
             cell = self.get_cell()
-            pos = np.dot(cell, pos.T).T
+            pos = np.dot(pos, cell)
 
         return elems, pos, tags