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add pytest for the write_cube method in Cp2kCube class #70

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merged 1 commit into from
Jul 13, 2024
Merged

add pytest for the write_cube method in Cp2kCube class #70

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1 change: 1 addition & 0 deletions cp2kdata/cube/cube.py
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Original file line number Diff line number Diff line change
Expand Up @@ -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))
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