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Merge pull request #600 from RandomDefaultUser/fix_qe_tempfile
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Hotfix:  Removed creation of files that were never used or deleted
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RandomDefaultUser authored Oct 28, 2024
2 parents 4c21990 + 3713e6e commit cb47e22
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion mala/targets/density.py
Original file line number Diff line number Diff line change
Expand Up @@ -947,7 +947,7 @@ def __setup_total_energy_module(
qe_input_data=None,
qe_pseudopotentials=None,
):
if create_file:
if create_file and Density.te_mutex is False:
# If not otherwise specified, use values as read in.
if qe_input_data is None:
qe_input_data = self.qe_input_data
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