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switch def to nose-hoover
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srmnitc committed Sep 25, 2023
1 parent a7ada71 commit 4cfa717
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions calphy/phase.py
Original file line number Diff line number Diff line change
Expand Up @@ -90,8 +90,8 @@ def __init__(self, calculation=None, simfolder=None):
self.logger.info("Reference phase is liquid, setting Nose-Hoover thermostat for equilibration")
self.calc.equilibration_control = "nose-hoover"
else:
self.logger.info("Reference phase is solid, setting Berensden thermostat for equilibration")
self.calc.equilibration_control = "berendsen"
self.logger.info("Reference phase is solid, setting Nose-Hoover thermostat for equilibration")
self.calc.equilibration_control = "nose-hoover"
else:
self.logger.info("Equilibration stage is done using %s barostat/thermostat"%self.calc.equilibration_control)

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