From eae9109599e9c36cf1ec31660cbd170d233718e3 Mon Sep 17 00:00:00 2001 From: Marvin Poul Date: Sun, 3 Mar 2024 15:03:25 +0100 Subject: [PATCH] State the correct input key in MeltedError --- calphy/phase.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/calphy/phase.py b/calphy/phase.py index 42e9fd6..d2181cf 100644 --- a/calphy/phase.py +++ b/calphy/phase.py @@ -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): """