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v0.2.2

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@zerothi zerothi released this 25 Jan 08:27
· 20 commits to main since this release

This release completes the initial purpose of flos.

I.e. one is able to relax cell parameters, atoms etc. using several optimization routines.

Bugs fixed in this release:

  • Reciprocal cell calculation in Lattice has been fixed
  • Transpose function for Array is fixed. Now only works up to 3D arrays.