v1.1.0

New features

• Constraining charge multipoles in VASP: python and Fortran code added, see also https://arxiv.org/abs/2305.13988
• Can read density matrices from collinear VASP calculations
• Added integration tests: automatic tests against the Elk and VASP implementation as well as t2g matrices with and without spin-orbit coupling
• Expanded unit tests

Bug fixes

• multipyles is now consistent with the newest version of multipole calculations in VASP (group-internal code), which implements the symmetries for inversion-breaking multipoles l != l' correctly
• Transformation from cubic to spherical harmonics fixed

Others

• Small bug fix for filtering data frames in some pandas versions
• Improved error messages
• Cleanup of code

Full Changelog: v1.0.0...v1.1.0

Thanks to Andrea Urru for the discussions on how to get the details of multipyles consistent with Elk and VASP.

v1.0.0

Small change to readme