From 71e03517ff7669abf14e6e68c99fa3933304c8fa Mon Sep 17 00:00:00 2001 From: KeyurManiya Date: Fri, 27 Feb 2026 16:55:21 +0100 Subject: [PATCH] fix: move integrate_reversible_scaling outside loop in MeltingTemp.run_jobs When n_iterations > 1, integrate_reversible_scaling was called inside the for loop before all ts.forward_N.dat files existed, causing FileNotFoundError. Fixed by moving the call outside the loop. --- calphy/routines.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/calphy/routines.py b/calphy/routines.py index 5e8d27b..0a353d6 100644 --- a/calphy/routines.py +++ b/calphy/routines.py @@ -190,9 +190,9 @@ def run_jobs(self): self.logger.info("Solid system melted during reversible scaling run") return 2 - self.solres = self.soljob.integrate_reversible_scaling( - scale_energy=True, return_values=True - ) + self.solres = self.soljob.integrate_reversible_scaling( + scale_energy=True, return_values=True + ) self.logger.info("Starting liquid fe calculation") try: