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Fix: Forget PressureSetter
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singularitti committed Nov 20, 2023
1 parent 9ec3bd6 commit 4718657
Showing 1 changed file with 5 additions and 3 deletions.
8 changes: 5 additions & 3 deletions src/EquationOfState/actions.jl
Original file line number Diff line number Diff line change
Expand Up @@ -26,8 +26,8 @@ using UnitfulAtomic
import Express.EquationOfState:
CreateInput, FitEquationOfState, ExtractData, ExtractCell, SaveCell

(::CreateInput{T})(template::PWInput, volume_or_cell) where {T} =
(customizer(volume_or_cell) normalizer(T()))(template)
(::CreateInput{T})(template::PWInput, arg) where {T} =
(customizer(arg) normalizer(T()))(template)

struct CalculationSetter{T} <: Setter
calculation::T
Expand Down Expand Up @@ -71,7 +71,9 @@ function (x::OutdirSetter)(template::PWInput)
return template
end

customizer(volume::Volume) = OutdirSetter("Y-m-d_H:M:S") VolumeSetter(volume)
customizer(volume_pressure::Tuple) =
OutdirSetter("Y-m-d_H:M:S") PressureSetter(volume_pressure[2])
VolumeSetter(volume_pressure[1])
customizer(cell::Cell) =
OutdirSetter("Y-m-d_H:M:S") CardSetter(CellParametersCard(cell, :bohr))
CardSetter(AtomicPositionsCard(cell))
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