diff --git a/src/EquationOfState/Recipes.jl b/src/EquationOfState/Recipes.jl index a31d7214..d97e3c04 100644 --- a/src/EquationOfState/Recipes.jl +++ b/src/EquationOfState/Recipes.jl @@ -80,18 +80,18 @@ function stage(::SelfConsistentField, r::ParallelEosFittingRecipe, ::Val{1}) gatherdata → savedata # runcmds .→ extractcells .→ savecells return (; - download=download, - compute=compute, - makeinputs=makeinputs, - writeinputs=writeinputs, - runcmds=runcmds, - # extractcells=extractcells, - # savecells=savecells, - extractdata=extractdata, - gatherdata=gatherdata, - savedata=savedata, - fiteos=fiteos, - saveparams=saveparams, + download, + compute, + makeinputs, + writeinputs, + runcmds, + # extractcells, + # savecells, + extractdata, + gatherdata, + savedata, + fiteos, + saveparams, ) end function stage(::VariableCellOptimization, r::ParallelEosFittingRecipe, ::Val{2}) @@ -155,18 +155,18 @@ function stage(::VariableCellOptimization, r::ParallelEosFittingRecipe, ::Val{2} runcmds .→ extractcells .→ savecells extractcells .→ detectsymmetries return (; - compute=compute, - makeinputs=makeinputs, - writeinputs=writeinputs, - runcmds=runcmds, - extractcells=extractcells, - savecells=savecells, - detectsymmetries=detectsymmetries, - extractdata=extractdata, - gatherdata=gatherdata, - savedata=savedata, - fiteos=fiteos, - saveparams=saveparams, + compute, + makeinputs, + writeinputs, + runcmds, + extractcells, + savecells, + detectsymmetries, + extractdata, + gatherdata, + savedata, + fiteos, + saveparams, ) end function stage(::SelfConsistentField, r::ParallelEosFittingRecipe, ::Val{3}) @@ -184,7 +184,7 @@ function stage(::SelfConsistentField, r::ParallelEosFittingRecipe, ::Val{3}) thunk -> ArgDependentJob(thunk; name="write input in SCF"), first(iterate(steps)) ) makeinputs .→ writeinputs - return (; makeinputs=makeinputs, writeinputs=writeinputs) + return (; makeinputs, writeinputs) end function build(::Type{Workflow}, r::ParallelEosFittingRecipe) diff --git a/src/Phonon/Recipes.jl b/src/Phonon/Recipes.jl index ca4d3a7e..81c7c4d3 100644 --- a/src/Phonon/Recipes.jl +++ b/src/Phonon/Recipes.jl @@ -55,13 +55,13 @@ function stage(::SelfConsistentField, r::Recipe) # savedata = ArgDependentJob(first(iterate(steps)); name="save E(V) data in SCF") download .→ makeinputs .→ runcmds return steps = (; - download=download, - makeinputs=makeinputs, - # writeinputs=writeinputs, - runcmds=runcmds, - # extractdata=extractdata, - # gatherdata=gatherdata, - # savedata=savedata, + download, + makeinputs, + # writeinputs, + runcmds, + # extractdata, + # gatherdata, + # savedata, ) end function stage(::LinearResponse, r::Recipe) @@ -94,12 +94,12 @@ function stage(::LinearResponse, r::Recipe) # savedata = ArgDependentJob(first(iterate(steps)); name="save E(V) data in DFPT") makeinputs .→ writeinputs .→ runcmds return steps = (; - makeinputs=makeinputs, - writeinputs=writeinputs, - runcmds=runcmds, - # extractdata=extractdata, - # gatherdata=gatherdata, - # savedata=savedata, + makeinputs, + writeinputs, + runcmds, + # extractdata, + # gatherdata, + # savedata, ) end function stage(::FourierTransform, r::Recipe) @@ -132,12 +132,12 @@ function stage(::FourierTransform, r::Recipe) # savedata = ArgDependentJob(first(iterate(steps)); name="save E(V) data in IFC") makeinputs .→ writeinputs .→ runcmds return steps = (; - makeinputs=makeinputs, - writeinputs=writeinputs, - runcmds=runcmds, - # extractdata=extractdata, - # gatherdata=gatherdata, - # savedata=savedata, + makeinputs, + writeinputs, + runcmds, + # extractdata, + # gatherdata, + # savedata, ) end function stage(::PhononDispersion, r::PhononDispersionRecipe) @@ -182,12 +182,12 @@ function stage(::PhononDispersion, r::PhononDispersionRecipe) # savedata = ArgDependentJob(first(iterate(steps)); name="save E(V) data in phonon dispersion") makeinputs .→ writeinputs .→ runcmds return steps = (; - makeinputs=makeinputs, - writeinputs=writeinputs, - runcmds=runcmds, - # extractdata=extractdata, - # gatherdata=gatherdata, - # savedata=savedata, + makeinputs, + writeinputs, + runcmds, + # extractdata, + # gatherdata, + # savedata, ) end function stage(::PhononDensityOfStates, r::VDOSRecipe) @@ -223,12 +223,12 @@ function stage(::PhononDensityOfStates, r::VDOSRecipe) # savedata = ArgDependentJob(first(iterate(steps)); name="save E(V) data in phonon dispersion") makeinputs .→ writeinputs .→ runcmds return steps = (; - makeinputs=makeinputs, - writeinputs=writeinputs, - runcmds=runcmds, - # extractdata=extractdata, - # gatherdata=gatherdata, - # savedata=savedata, + makeinputs, + writeinputs, + runcmds, + # extractdata, + # gatherdata, + # savedata, ) end