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Merge pull request #116 from pmrv/melt
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State the correct input key in MeltedError
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srmnitc authored Mar 5, 2024
2 parents 4b2bf87 + eae9109 commit 8fcac6f
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion calphy/phase.py
Original file line number Diff line number Diff line change
Expand Up @@ -238,7 +238,7 @@ def check_if_melted(self, lmp, filename):
solids = ph.find_solid_fraction(os.path.join(self.simfolder, filename))
if (solids/lmp.natoms < self.calc.tolerance.solid_fraction):
lmp.close()
raise MeltedError("System melted, increase size or reduce temp!\n Solid detection algorithm only works with BCC/FCC/HCP/SC/DIA. Detection algorithm can be turned off by setting conv:\n solid_frac: 0")
raise MeltedError("System melted, increase size or reduce temp!\n Solid detection algorithm only works with BCC/FCC/HCP/SC/DIA. Detection algorithm can be turned off by setting:\n tolerance.solid_fraction: 0")

def check_if_solidfied(self, lmp, filename):
"""
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