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v0.1
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@zerothi zerothi released this 27 Jan 14:48
· 114 commits to main since this release
v0.1
bd318ab

Initial release of the sfl library.

This has been tested on a few simple systems in SIESTA and the relaxation algorithm seems to much improve the convergence speed.

You are highly recommended to use the L-BFGS relaxation routines instead of the CG method in SIESTA.

There are 3 examples in the release which contain a cell-relaxation, geometry-relaxation and both (simultaneously).

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