WIP: converting UI from an ASE calculator to a Process.

epfl-theos · Jun 26, 2024 · 0b0d022 · 0b0d022
1 parent 62a5b04
commit 0b0d022
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Showing 20 changed files with 595 additions and 812 deletions.
diff --git a/src/koopmans/calculators/__init__.py b/src/koopmans/calculators/__init__.py
@@ -9,7 +9,6 @@
 from ._projwfc import ProjwfcCalculator
 from ._pw import PWCalculator
 from ._pw2wannier import PW2WannierCalculator
-from ._ui import UnfoldAndInterpolateCalculator
 from ._utils import (CalculatorCanEnforceSpinSym, CalculatorExt,
                      ReturnsBandStructure)
 from ._wann2kc import Wann2KCCalculator
@@ -25,8 +24,7 @@
              PW2WannierCalculator,
              Wann2KCPCalculator,
              Wannier90Calculator,
-             Wann2KCCalculator,
-             UnfoldAndInterpolateCalculator]
+             Wann2KCCalculator]
 
 CalcType = Union[Type[EnvironCalculator],
                  Type[KoopmansCPCalculator],
@@ -37,5 +35,4 @@
                  Type[PW2WannierCalculator],
                  Type[Wann2KCPCalculator],
                  Type[Wannier90Calculator],
-                 Type[Wann2KCCalculator],
-                 Type[UnfoldAndInterpolateCalculator]]
+                 Type[Wann2KCCalculator]]