From 502a354279beead37082f81509a0ab8ce58d58ad Mon Sep 17 00:00:00 2001 From: Sarath Menon Date: Thu, 14 Mar 2024 18:06:54 +0100 Subject: [PATCH] rename function --- calphy/utils.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/calphy/utils.py b/calphy/utils.py index f9f5ff8..7b5584f 100644 --- a/calphy/utils.py +++ b/calphy/utils.py @@ -81,7 +81,7 @@ def create_job_from_inputfile(pr, inputfile, potential, kernel=None): print(f'could not find {basedir_path}, skipping') -def get_energy_free(job): +def get_free_energy(job): return job["output/energy_free"] def get_temperature(job):