allow more equilibration search steps

materialsproject · Jul 28, 2023 · 065408a · 065408a
1 parent 2d732df
commit 065408a
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/mpmorph/jobs/equilibrate_volume.py b/src/mpmorph/jobs/equilibrate_volume.py
@@ -11,7 +11,7 @@
 from ..runners import rescale_volume
 
 
-MAX_MD_JOBS = 5  # if you can't converge with five additional calcs you're doing something wrong...
+MAX_MD_JOBS = 9  # if you can't converge with five additional calcs you're doing something wrong...
 OFFSET = 0.1  # gives it enough room to slosh back
 
 def get_scaled_structure(struct: Structure, scale_factor: float):