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[feat]: Adding more logs to minushalf execute
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hentt30 committed Sep 28, 2021
1 parent 34fea46 commit 7995c31
Showing 1 changed file with 4 additions and 0 deletions.
4 changes: 4 additions & 0 deletions minushalf/utils/negative_band_gap.py
Original file line number Diff line number Diff line change
Expand Up @@ -216,13 +216,17 @@ def find_negative_band_gap(cuts: list, *args: tuple) -> float:

## Logger
if is_conduction:
logger.info("CONDUCTION CORRECTION: Element {}".format(
extra_args["symbol"]))
logger.info(
"CONDUCTION CORRECTION: Current CUT value is {:.2f} a.u".format(
cut))
logger.info(
"CONDUCTION CORRECTION: Current Gap value is {:.2f} eV".format(
gap))
else:
logger.info("VALENCE CORRECTION: Element {}".format(
extra_args["symbol"]))
logger.info(
"VALENCE CORRECTION: Current CUT value is {:.2f} a.u".format(cut))
logger.info(
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