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Merge pull request #322 from computerscienceiscool/patch-1
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Update README.md
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bernstei authored Jul 8, 2024
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Expand Up @@ -8,10 +8,10 @@ The main functions of Workflow is to efficiently parallelise operations over a s

For examples and more information see [documentation](https://libatoms.github.io/workflow/)

`wfl` and its dependendensies may be installed via `pip install wfl`.
`wfl` and its dependencies may be installed via `pip install wfl`.

NOTE: (as of 14 June 2024) `wfl` is only tested against the latest ASE pip release, currently v3.23.0.
For the time being, v3.22.1 is the mininum version listed as a (pip) prerequisite of `wfl`, because
For the time being, v3.22.1 is the minimum version listed as a (pip) prerequisite of `wfl`, because
it at least mostly works, but it may not be fully compatible and is not actively tested.

# Recent changes
Expand Down Expand Up @@ -41,7 +41,7 @@ v0.2.0:

v0.1.0:

- make it possible to fire off several remote autoparallellized ops without waiting for their jobs to finish
- multi-pass calclation in `Vasp`, to allow for things like GGA followed by HSE
- make it possible to fire off several remote autoparallelized ops without waiting for their jobs to finish
- multi-pass calculation in `Vasp`, to allow for things like GGA followed by HSE
- MACE fitting, including remote jobs
- various bug fixes

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