Update describe.

knc6 · knc6 · commit 7665f91cb34a · 2024-04-14T08:48:10.000-04:00
diff --git a/jarvis/core/atoms.py b/jarvis/core/atoms.py
@@ -1297,8 +1297,6 @@ def describe(
             # "point_group": spg.point_group_symbol,
             # "wyckoff": ", ".join(list(set(spg._dataset["wyckoffs"]))),
             "bond_distances": bond_distances,
-            # "natoms_primitive": spg.primitive_atoms.num_atoms,
-            # "natoms_conventional": spg.conventional_standard_structure.num_atoms,
         }
         if include_spg:
             struct_info["spg_number"] = spg.space_group_number

Original file line number	Diff line number	Diff line change
`@@ -1297,8 +1297,6 @@ def describe(`
`1297`	`1297`	`# "point_group": spg.point_group_symbol,`
`1298`	`1298`	`# "wyckoff": ", ".join(list(set(spg._dataset["wyckoffs"]))),`
`1299`	`1299`	`"bond_distances": bond_distances,`
`1300`		`- # "natoms_primitive": spg.primitive_atoms.num_atoms,`
`1301`		`- # "natoms_conventional": spg.conventional_standard_structure.num_atoms,`
`1302`	`1300`	`}`
`1303`	`1301`	`if include_spg:`
`1304`	`1302`	`struct_info["spg_number"] = spg.space_group_number`