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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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CompatHelper: add new compat entry for "Unitful" at version "1"
#105
github-actions[bot]
closed
3 years ago
0
CompatHelper: add new compat entry for "Configurations" at version "0.16"
#104
github-actions[bot]
closed
3 years ago
0
CompatHelper: add new compat entry for "LegibleLambdas" at version "0.3"
#103
github-actions[bot]
closed
3 years ago
0
CompatHelper: add new compat entry for "EquationsOfStateOfSolids" at version "0.1"
#102
github-actions[bot]
closed
3 years ago
0
CompatHelper: add new compat entry for "UrlDownload" at version "1"
#101
github-actions[bot]
closed
3 years ago
0
CompatHelper: add new compat entry for "Compat" at version "3"
#100
github-actions[bot]
closed
3 years ago
0
Update template files
#99
singularitti
closed
3 years ago
0
Restyle Update deps
#98
restyled-io[bot]
closed
3 years ago
0
Update deps
#97
singularitti
closed
3 years ago
0
Fix some types in Qha.jl
#96
singularitti
closed
3 years ago
0
Redefine `@vecunit` to `@unit_vec_opt`
#95
singularitti
closed
3 years ago
0
Rewrite `Pressures`, `Volumes`, `Temperatures`, `SampledTemperatures` & `SampledPressures` using `@vecunit`
#94
singularitti
closed
3 years ago
0
Automatic JuliaFormatter.jl run
#93
github-actions[bot]
closed
3 years ago
0
Add `LegibleLambdas.@λ` to `buildjob`s
#91
singularitti
closed
3 years ago
0
Automatic JuliaFormatter.jl run
#90
github-actions[bot]
closed
3 years ago
0
Use `@vecunit` to rewrite `Pressures` & `Volumes`
#89
singularitti
closed
3 years ago
0
Support writing `StepRange` in config file
#88
singularitti
closed
3 years ago
0
Support writing `StepRange` in config file
#87
singularitti
closed
3 years ago
0
Implement loading `Workflow` from a file to `buildworkflow`
#86
singularitti
closed
3 years ago
0
Simplify the old workflow coding style to the new, `Chain.jl`-like style using `→`
#85
singularitti
closed
3 years ago
0
Add `LogMsg` to workflows
#84
singularitti
closed
3 years ago
0
Merge `materialize_press_vol`, `materialize_dir`, etc., into `materialize`
#83
singularitti
closed
3 years ago
0
Fix `_materialize_eos` cannot work on `AbstractVector`
#82
singularitti
closed
3 years ago
0
Move `MakeCmd` to `*.DefaultActions`
#81
singularitti
closed
3 years ago
0
Update EosFitting.Config
#80
singularitti
closed
3 years ago
0
Automatic JuliaFormatter.jl run
#79
github-actions[bot]
closed
3 years ago
0
Rewrite `Phonon` module, including `MakeInput`
#78
singularitti
closed
3 years ago
0
Rewrite `PhononConfig`, etc.
#77
singularitti
closed
3 years ago
0
Fix `MakeInput`
#76
singularitti
closed
3 years ago
0
Move `buildjob` to QuantumESPRESSOExpress.jl
#75
singularitti
closed
3 years ago
0
config
#74
singularitti
closed
3 years ago
0
config
#73
singularitti
closed
3 years ago
0
Rewrite EosFitting.Config using Configurations.jl
#72
singularitti
closed
3 years ago
0
Use new method to `materialize_eos`
#71
singularitti
closed
3 years ago
0
Rename types in EquationsOfStateOfSolids.jl
#70
singularitti
closed
3 years ago
0
Add shell args from template of shell files
#69
singularitti
closed
3 years ago
0
Rename `writeinput` to `writetxt`
#68
singularitti
closed
3 years ago
0
Implement `QuasiHarmonicApprox` workflow
#67
singularitti
closed
3 years ago
0
Rewrite `checkconfig` using new config parameters
#66
singularitti
closed
3 years ago
0
Restyle Resolve #63
#65
restyled-io[bot]
closed
3 years ago
0
Resolve #63
#64
singularitti
closed
3 years ago
0
Remove `workdir` parameter in config file
#63
singularitti
closed
3 years ago
0
Fix returning `nothing` in src/Phonon/makeinput.jl
#62
singularitti
closed
3 years ago
0
Fix some configs reading
#61
singularitti
closed
3 years ago
0
Rewrite config loading part
#60
singularitti
closed
3 years ago
0
Small updates in `EosFitting` module
#59
singularitti
closed
3 years ago
0
Move `Action`s to `DefaultActions` module
#58
singularitti
closed
3 years ago
0
A lot of renamings
#57
singularitti
closed
3 years ago
0
Rewrite src/EosFitting/EosFitting.jl
#56
singularitti
closed
3 years ago
0
Small polish in src/EosFitting.jl
#55
singularitti
closed
3 years ago
0
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