SOF-7344: enable hubbard, spin polarization and soc

Exabyte-io · May 14, 2024 · 94f3040 · 94f3040
1 parent 38afdc1
commit 94f3040
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Showing 3 changed files with 7 additions and 5 deletions.
diff --git a/assets/models/gga.yml b/assets/models/gga.yml
@@ -7,6 +7,8 @@ ggaConfigs: !combine
       pbesol: PBESOL
       dft-d3: D3
       u: U
+      u+v: U+V
+      u+j: U+J
   forEach:
     - !parameter
       key: parameters.functional
@@ -30,8 +32,7 @@ ggaConfigs: !combine
       exclude: '^non-collinear'
       isOptional: true
   exclusions:
-    - [parameters.spinPolarization, parameters.spinOrbitCoupling]
-    - [parameters.hubbardType, parameters.dispersionCorrection]
+    - [parameters.dispersionCorrection]
   config:
     categories:
       tier1: pb

diff --git a/assets/models/lda.yml b/assets/models/lda.yml
@@ -6,6 +6,8 @@ ldaConfigs: !combine
       pz: PZ
       dft-d3: D3
       u: U
+      u+v: U+V
+      u+j: U+J
   forEach:
     - !parameter
       key: parameters.functional
@@ -29,8 +31,7 @@ ldaConfigs: !combine
       exclude: '^non-collinear'
       isOptional: true
   exclusions:
-    - [parameters.spinPolarization, parameters.spinOrbitCoupling]
-    - [parameters.hubbardType, parameters.dispersionCorrection]
+    - [parameters.dispersionCorrection]
   config:
     categories:
       tier1: pb