Crystal Output Validation; removed requirements not met by non-spin c…

…alculations
chrisjsewell · Jun 3, 2018 · 54e774e · 54e774e
1 parent 0e1e8f0
commit 54e774e
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Showing 2 changed files with 3 additions and 6 deletions.
diff --git a/ejplugins/__init__.py b/ejplugins/__init__.py
@@ -33,4 +33,4 @@ def load_all_encoders():
     return plugins.load_plugin_classes([Encode_Pymatgen, Encode_ASE])
 
 
-__version__ = "0.9.0"
+__version__ = "0.9.1"
diff --git a/ejplugins/schema/crystal_out.json b/ejplugins/schema/crystal_out.json
@@ -495,9 +495,7 @@
             "required": [
               "atomic_charges_peratom",
               "charge_normalization_factor",
-              "energy",
-              "spin_density_peratom",
-              "spin_density_total"
+              "energy"
             ]
           }
         },
@@ -1478,8 +1476,7 @@
         }
       },
       "required": [
-        "alpha+beta_electrons",
-        "alpha-beta_electrons"
+        "alpha+beta_electrons"
       ]
     }
   },
Original file line number	Diff line number	Diff line change
Expand Up		@@ -33,4 +33,4 @@ def load_all_encoders():
		return plugins.load_plugin_classes([Encode_Pymatgen, Encode_ASE])


		__version__ = "0.9.0"
		__version__ = "0.9.1"