Happy to hereby announce what will be my first opensource project, first package, and first overall big project. An elementary chemistry package for Julia, supplying users with first the basic chemistry formulas and later the advanced ones as well. [image] GitHub - baobabfruit88/Elementary…

The code has been added to the registry bot and should be added to the REPL tomorrow ! New package: ElementaryChemistry v0.1.0 by JuliaRegistrator · Pull Request #39268 · JuliaRegistries/General (github.com)

ElementaryChemistry has just been added and can now easily be installed from the repl !

Any interest in putting together a JuliaChemistry GitHub org (if there isn’t one already)?

These people might be interested: [image] Interest in chemistry-focused BoF? 2021 The obvious one for molecular structures is a Berny based optimisation. It can save a factor of 2-3x steps over doing the optimisation directly in Cartesian space. PyBerny Python implementa…

I think there isn’t one yet, haven’t made a GitHub org before I’ll definitely have a look and see if I can set one up.

[ANN] Chemistry.jl

Package Announcements

cortner June 25, 2021, 11:23pm 5

These people might be interested:

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[ANN] Chemistry.jl

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