Adapt to: adcc/PR#169 gauge origin dependent operator integrals

[frieschneider]

• adcc/PR#169 is merged: the operator integrals are dependent on the gauge origin.
• adcc/PR#190 is merged: negative charges included in operator integrals definition.

Changes

• adapted MCD B term accordingly.
• adapted pyproject.toml: do not ignore line-length error with ruff, new adcc version
• ci_env.yml: new adcc version
• new generated reference_data see: https://heibox.uni-heidelberg.de/f/f7486751b9bd43abb0fc/

ToDo

• adapt ci_env.yml as soon as new adcc version is available

[apapapostolou]

But this function can also be called with a normal ExcitedStates object and not only with a MockExcitedStates object, right? I think for the former the gauge selection should still be possible and also the magnetic properties need to be adapted.

[frieschneider]

I thought this function was for testing purposes only.
See lines 110 and 111: An ExcitedStates object does not have these properties, nor does a State2States object. Thus, the function is only meant for the MockExcitedStates object.

110 s2s_tdm = state.transition_dipole_moment_s2s
111 s2s_tdm_mag = state.transition_magnetic_moment_s2s

[apapapostolou]

I think this used to work before the State2States class was introduced. But okay, for now, it is okay then, I guess. But maybe we could think about changing this in the future.