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MineralsCloud
/
Express.jl
Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
https://mineralscloud.github.io/Express.jl/
GNU General Public License v3.0
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Fix `propertynames` to `fieldnames` of type `T`
#155
singularitti
closed
3 years ago
0
New version: v0.3.1
#154
singularitti
closed
3 years ago
0
Fix an order bug in building the `PhononWorkflow`
#153
singularitti
closed
3 years ago
0
New version: v0.3.0
#152
singularitti
closed
3 years ago
0
Fix `convert_to_option` will not read `Vector`
#151
singularitti
closed
3 years ago
0
Add `recipe` to `RuntimeConfig`s
#150
singularitti
closed
3 years ago
0
New version: v0.2.3
#149
singularitti
closed
3 years ago
0
Fix `thermodynamic_properties` from a `Tuple` to a `Vector` in `ExpandConfig`
#148
singularitti
closed
3 years ago
0
New version: v0.2.2
#147
singularitti
closed
3 years ago
0
Deprecate `whichmodule` & `buildworkflow` from it
#146
singularitti
closed
3 years ago
0
Deprecate constructors of `Pressures`, etc., from `String`s
#145
singularitti
closed
3 years ago
0
New version: v0.2.1
#144
singularitti
closed
3 years ago
0
Bump AbInitioSoftwareBase.jl `compat` to 0.6
#143
singularitti
closed
3 years ago
0
New version: v0.2.0
#142
singularitti
closed
3 years ago
0
TagBot trigger issue
#141
JuliaTagBot
closed
3 years ago
33
Remove checks of `Pressures` in `PhononWorkflow`
#140
singularitti
closed
3 years ago
0
Fix `load` a JSON file will have `Pressures.values` to be a vector of `Any`
#139
singularitti
closed
3 years ago
0
Fix config `Pressures`, etc.
#138
singularitti
closed
3 years ago
0
CompatHelper: add new compat entry for PyQHA at version 0.1, (keep existing compat)
#137
github-actions[bot]
closed
3 years ago
1
Fix `QuasiHarmonicApproxWorkflow`
#136
singularitti
closed
3 years ago
0
CompatHelper: bump compat for AbInitioSoftwareBase to 0.4, (keep existing compat)
#135
github-actions[bot]
closed
3 years ago
1
Fix some phonon things
#134
singularitti
closed
3 years ago
0
Fix `PhononWorkflow`
#133
singularitti
closed
3 years ago
0
Update docs
#132
singularitti
closed
3 years ago
0
New version: v0.1.0
#131
singularitti
closed
3 years ago
1
Simplify `buildworkflow` using `▷`, `⋲`, `⋺`
#130
singularitti
closed
3 years ago
0
Fix input & output file names & saved file names
#129
singularitti
closed
3 years ago
0
Fix `buildjob` for `FitEos` & `MakeInput`
#128
singularitti
closed
3 years ago
0
Remove unused `GetData` in `buildworkflow`
#127
singularitti
closed
3 years ago
0
Deprecate `loadconfig` & add `ExpandConfig`
#126
singularitti
closed
3 years ago
0
Use `buildjob` in `buildworkflow`
#125
singularitti
closed
3 years ago
0
Rewrite `buildworkflow` using SimpleWorkflows.jl v0.4.0
#124
singularitti
closed
3 years ago
0
CompatHelper: add new compat entry for "Formatting" at version "0.4"
#123
github-actions[bot]
closed
3 years ago
0
Update module `EquationOfStateWorkflow`
#122
singularitti
closed
3 years ago
0
Rewrite src/EquationOfStateWorkflow/Config.jl
#121
singularitti
closed
3 years ago
0
Update `buildworkflow`
#120
singularitti
closed
3 years ago
0
CompatHelper: bump compat for "Crystallography" to "0.3"
#119
github-actions[bot]
closed
3 years ago
0
CompatHelper: bump compat for "AbInitioSoftwareBase" to "0.3"
#118
github-actions[bot]
closed
3 years ago
0
CompatHelper: add new compat entry for "SimpleWorkflows" at version "0.2"
#117
github-actions[bot]
closed
3 years ago
0
Move `buildworkflow` to `EquationOfStateWorkflow.Recipes`
#116
singularitti
closed
3 years ago
0
Rename some types
#115
singularitti
closed
3 years ago
0
CompatHelper: add new compat entry for "Crystallography" at version "0.2"
#114
github-actions[bot]
closed
3 years ago
0
Restyle Fix module names
#113
restyled-io[bot]
closed
3 years ago
0
Fix module names
#112
singularitti
closed
3 years ago
0
Update imports
#111
singularitti
closed
3 years ago
0
CompatHelper: add new compat entry for "CrystallographyBase" at version "0.1"
#110
github-actions[bot]
closed
3 years ago
0
CompatHelper: add new compat entry for "Setfield" at version "0.7"
#109
github-actions[bot]
closed
3 years ago
0
CompatHelper: add new compat entry for "AbInitioSoftwareBase" at version "0.2"
#108
github-actions[bot]
closed
3 years ago
0
CompatHelper: add new compat entry for "Mustache" at version "1"
#107
github-actions[bot]
closed
3 years ago
0
CompatHelper: add new compat entry for "UnitfulAtomic" at version "1"
#106
github-actions[bot]
closed
3 years ago
0
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