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Explicitly set dm-use-save-dm to false if no parent_calc_folder #130

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Explicitly set dm-use-save-dm to false if no parent_calc_folder #130

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3 changes: 3 additions & 0 deletions aiida_siesta/calculations/siesta.py
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Original file line number Diff line number Diff line change
Expand Up @@ -621,6 +621,9 @@ def prepare_for_submission(self, folder): # pylint: disable=too-many-statements
os.path.join(parent_calc_folder.get_remote_path(), self._restart_copy_from), self._restart_copy_to
))
input_params.update({'dm-use-save-dm': "T"})
else:
# Explicitly set dm-use-save-dm to false due to new siesta defaults
input_params.update({'dm-use-save-dm': "F"})

# ===================================== FDF file creation ====================================

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