NESSie v1.4.2
Merged pull requests:
- Backports 1.4.2 (#11) (@tkemmer)
- Documentation updates and fixes (#10) (@tkemmer)
- Base: fix
∇φmol
w/ empty charge lists (#17) (@tkemmer) - Fixes for
NonlocalXieModel1
(#25) (@tkemmer)
Closed issues:
- Wrong return value/type for
∇φmol
w/ empty charge list (#16) TestModel.scalemodel
fails for single-charge systems (#21)- NonlocalXieModel1: origin as observation point yields wrong energies (#22)
- NonlocalXieModel1: precomputation of coefficients fails if charges are located in the origin (#23)
- NonlocalXieModel1: different born potential definitions used for charges (not) located at the origin (#24)