Outdated elec-n-bands lower bound

benrich37 · benrich37 · commit 32bd35c0eca8 · 2025-11-25T12:07:31.000-07:00
diff --git a/src/pymatgen/io/jdftx/jdftxinfile_master_format.py b/src/pymatgen/io/jdftx/jdftxinfile_master_format.py
@@ -500,7 +500,7 @@
         # "elec-n-bands": IntTag(),
         "elec-n-bands": TagContainer(
             subtags={
-                "n": IntTag(write_tagname=False, optional=False, lb=0, lb_incl=False),
+                "n": IntTag(write_tagname=False, optional=False, lb=0, lb_incl=True),
                 "multiplier": FloatTag(write_tagname=False, optional=True, lb=1.0, lb_incl=True),
             }
         ),

Original file line number	Diff line number	Diff line change
`@@ -500,7 +500,7 @@`
`500`	`500`	`# "elec-n-bands": IntTag(),`
`501`	`501`	`"elec-n-bands": TagContainer(`
`502`	`502`	`subtags={`
`503`		`- "n": IntTag(write_tagname=False, optional=False, lb=0, lb_incl=False),`
	`503`	`+ "n": IntTag(write_tagname=False, optional=False, lb=0, lb_incl=True),`
`504`	`504`	`"multiplier": FloatTag(write_tagname=False, optional=True, lb=1.0, lb_incl=True),`
`505`	`505`	`}`
`506`	`506`	`),`