From 0cfd420419e3d3dcb0ff8434991edfddce50772b Mon Sep 17 00:00:00 2001 From: singularitti Date: Sun, 19 Nov 2023 15:05:42 -0500 Subject: [PATCH] Rename `Optimization` to `StructuralOptimization` but create an alias --- ExpressBase/src/ExpressBase.jl | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/ExpressBase/src/ExpressBase.jl b/ExpressBase/src/ExpressBase.jl index d5f1988a..2c49da9c 100644 --- a/ExpressBase/src/ExpressBase.jl +++ b/ExpressBase/src/ExpressBase.jl @@ -33,10 +33,10 @@ struct DFTPlusU <: ElectronicStructure end abstract type MolecularDynamics <: Calculation end struct IonDynamics <: MolecularDynamics end struct VariableCellMolecularDynamics <: MolecularDynamics end -# Optimization -abstract type Optimization <: Calculation end -struct FixedCellOptimization <: Optimization end -struct VariableCellOptimization <: Optimization end +# Structural optimization +abstract type StructuralOptimization <: Calculation end +struct FixedCellOptimization <: StructuralOptimization end +struct VariableCellOptimization <: StructuralOptimization end # Phonon abstract type LatticeDynamics <: Calculation end struct LinearResponse <: LatticeDynamics end @@ -49,6 +49,7 @@ struct QuasiHarmonicApproximation <: Calculation end const SCF = SelfConsistentField const NSCF = NonSelfConsistentField const FixedIonSelfConsistentField = SelfConsistentField +const Optimization = StructuralOptimization const VDOS = PhononDensityOfStates const ZoneCentrePhonons = ZoneCenterPhonons # For British users const QHA = QuasiHarmonicApproximation