README.md

This is an attempt to write an efficient SCF KAIN solver for Multiwavelets

This implementation makes use of the VAMPyR library. Parts of the implementation are based on the SCF solver in this repository.

Running the Code

This SCF solver makes use of the inital guess from an MRChem calculation by loading the orbitals from MRChem. Therefore, it is important that both VAMPyR and MRChem are compiled useing the same version of the MRCPP library!