The meson build broke the generation of documentation becase _version.py is a
generated file and is necessary to generate documentation.

…jects

Besides the Calculator class (CommitteeUncertainty) itself 2 more classes (Committee, CommitteeMember) are implemented that are doing the groundwork for the actual Calculator. Moreover, enabled logging for the implementation.

… implementation

…quippy'

…nics

removed contact_mechanics submodule

…AP-based to LennardJones-based results + minor adjustments

…ator

ENH: added implementation for committe (of models) approach as a Calculator, including TST

…ator_minor_bugfix

BUG: fixed erroneous conditional

Make sure that l is rotated into the x direction.

Update build-wheels.yml

Included options to extend region I or remove the surface from region
II/III

imports

Also added option to mask atoms that one does want to apply a large
strain to

Previous solution did not use normalized vectors, not
catching the general [a,0,0] case.
Also, numpy.allclose() does not catch the [-a,0,0] case.

Make sure only normalized vectors are compared.

…ence

fix: "\s" is now an invalid escape sequence

… the ring statistics were computed on

always return array of length maxlength

Collected documentation edits & fixes

…t_error

scipy.optimize.NoConvergence no longer exists

Added a surface reconstruction tool that can map and apply surface
reconstructions in simple and multilattices

Function include plotting strain error and correcting for f_alpha
errors