Merge pull request #70 from robinzyb/devel

add pytest for the write_cube method in Cp2kCube class
robinzyb · Jul 13, 2024 · f6b70d2 · f6b70d2
2 parents 896c0b7 + 19e4202
commit f6b70d2
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diff --git a/cp2kdata/cube/cube.py b/cp2kdata/cube/cube.py
@@ -331,6 +331,7 @@ def reduce_resolution(self, stride, axis='xyz'):
 
         return new_cube
 
+    # methods begin with _ are private methods
     @staticmethod
     def _parse_gs_matrix(fname: str) -> npt.NDArray[np.float64]:
         content_list = file_content(fname, (3, 6))