add Crystal Genome elastic properties

openkim · Jul 11, 2024 · eb3adb0 · eb3adb0
1 parent d3b3a6a
commit eb3adb0
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Showing 3 changed files with 6 additions and 2 deletions.
diff --git a/external/openkim-properties b/external/openkim-properties
diff --git a/kim_property/ednify.py b/kim_property/ednify.py
@@ -119,6 +119,8 @@ def ednify_kim_properties(
             "verification-check",
             "crystal-structure-npt",
             "binding-energy-crystal",
+            "bulk-modulus-isothermal-npt",
+            "elastic-constants-isothermal-npt"
         ]
 
         # KIM property full IDs.
@@ -182,6 +184,8 @@ def ednify_kim_properties(
             "tag:[email protected],2017-02-01:property/verification-check",
             "tag:[email protected],2023-02-21:property/crystal-structure-npt",
             "tag:[email protected],2023-02-21:property/binding-energy-crystal",
+            "tag:[email protected],2024-07-10:property/bulk-modulus-isothermal-npt",
+            "tag:[email protected],2024-07-10:property/elastic-constants-isothermal-npt"
         ]
 
         for _id in kim_property_ids:

diff --git a/kim_property/properties/kim_properties.edn b/kim_property/properties/kim_properties.edn
+6 −0		...-maintainer/bulk-modulus-isothermal-npt/[email protected]/contributor-and-maintainer.edn
+6 −0		...tainer/elastic-constants-isothermal-npt/[email protected]/contributor-and-maintainer.edn
+0 −0		physics-validator/bulk-modulus-isothermal-npt/[email protected]/.gitkeep
+0 −0		physics-validator/elastic-constants-isothermal-npt/[email protected]/.gitkeep
+92 −0		properties/bulk-modulus-isothermal-npt/[email protected]/bulk-modulus-isothermal-npt.edn
+20 −0		properties/bulk-modulus-isothermal-npt/[email protected]/comparison.edn
+1 −0		properties/bulk-modulus-isothermal-npt/[email protected]/property-table-category.edn
+14 −0		properties/bulk-modulus-isothermal-npt/[email protected]/synopsis.tpl
+20 −0		properties/elastic-constants-isothermal-npt/[email protected]/comparison.edn
+120 −0		.../elastic-constants-isothermal-npt/[email protected]/elastic-constants-isothermal-npt.edn
+1 −0		properties/elastic-constants-isothermal-npt/[email protected]/property-table-category.edn
+15 −0		properties/elastic-constants-isothermal-npt/[email protected]/synopsis.tpl