SOF-6892: rename siteName -> atomicSpecies

Exabyte-io · Dec 7, 2023 · 84c77d6 · 84c77d6
1 parent 6bab86c
commit 84c77d6
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Showing 4 changed files with 11 additions and 11 deletions.
diff --git a/example/properties_directory/non-scalar/hubbard_u.json b/example/properties_directory/non-scalar/hubbard_u.json
@@ -4,13 +4,13 @@
     "values": [
         {
             "id": 1,
-            "siteName": "Co",
+            "atomicSpecies": "Co",
             "orbitalName": "3d",
             "value": 6.7553
         },
         {
             "id": 2,
-            "siteName": "O",
+            "atomicSpecies": "O",
             "orbitalName": "3p",
             "value": 2.2438
         }

diff --git a/example/properties_directory/non-scalar/hubbard_v.json b/example/properties_directory/non-scalar/hubbard_v.json
@@ -4,20 +4,20 @@
     "values": [
         {
             "id": 1,
-            "siteName": "Co",
+            "atomicSpecies": "Co",
             "orbitalName": "3d",
             "id2": 1,
-            "siteName2": "Co",
+            "atomicSpecies2": "Co",
             "orbitalName2": "3d",
             "distance": 0,
             "value": 6.7553
         },
         {
             "id": 1,
-            "siteName": "Co",
+            "atomicSpecies": "Co",
             "orbitalName": "3d",
             "id2": 2,
-            "siteName2": "O",
+            "atomicSpecies2": "O",
             "orbitalName2": "3p",
             "distance": 3.5423,
             "value": 2.2438

diff --git a/schema/core/reusable/atomic_data_per_orbital.json b/schema/core/reusable/atomic_data_per_orbital.json
@@ -9,7 +9,7 @@
             "type": "number",
             "description": "Site number in the lattice"
         },
-        "siteName": {
+        "atomicSpecies": {
             "type": "string",
             "description": "Atomic species name. Example: Co, Ni1, O"
         },
@@ -19,5 +19,5 @@
             "description": "Atomic orbital or Hubbard manifold."
         }
     },
-    "required": ["id", "siteName", "orbitalName"]
+    "required": ["id", "atomicSpecies", "orbitalName"]
 }
diff --git a/schema/core/reusable/atomic_data_per_orbital_pair.json b/schema/core/reusable/atomic_data_per_orbital_pair.json
@@ -13,11 +13,11 @@
             "type": "number",
             "description": "Site number or index in the lattice of second site"
         },
-        "siteName": {
+        "atomicSpecies": {
             "type": "string",
             "description": "Example: Co1"
         },
-        "siteName2": {
+        "atomicSpecies2": {
             "type": "string",
             "description": "Example: O"
         },
@@ -34,5 +34,5 @@
             "description": "Distance between two sites in angstrom."
         }
     },
-    "required": ["id", "id2", "siteName", "siteName2"]
+    "required": ["id", "id2", "atomicSpecies", "atomicSpecies2"]
 }