Wrong formatting on elec-n-bands multiplier optional subtag

benrich37 · benrich37 · commit d4e40ceb13f4 · 2025-11-25T12:03:34.000-07:00
diff --git a/src/pymatgen/io/jdftx/jdftxinfile_master_format.py b/src/pymatgen/io/jdftx/jdftxinfile_master_format.py
@@ -501,7 +501,7 @@
         "elec-n-bands": TagContainer(
             subtags={
                 "n": IntTag(write_tagname=False, optional=False, lb=0, lb_incl=False),
-                "multiplier": FloatTag(write_tagname=True, optional=True, lb=1.0, lb_incl=True),
+                "multiplier": FloatTag(write_tagname=False, optional=True, lb=1.0, lb_incl=True),
             }
         ),
         "spintype": StrTag(options=["no-spin", "spin-orbit", "vector-spin", "z-spin"]),

Original file line number	Diff line number	Diff line change
`@@ -501,7 +501,7 @@`
`501`	`501`	`"elec-n-bands": TagContainer(`
`502`	`502`	`subtags={`
`503`	`503`	`"n": IntTag(write_tagname=False, optional=False, lb=0, lb_incl=False),`
`504`		`- "multiplier": FloatTag(write_tagname=True, optional=True, lb=1.0, lb_incl=True),`
	`504`	`+ "multiplier": FloatTag(write_tagname=False, optional=True, lb=1.0, lb_incl=True),`
`505`	`505`	`}`
`506`	`506`	`),`
`507`	`507`	`"spintype": StrTag(options=["no-spin", "spin-orbit", "vector-spin", "z-spin"]),`