A very cool feature would be to be able to switch basis sets and use an interpolated previous solution as a guess. This requires roughly the following steps:
[ ] Obtain the overlap matrices in old and new basis
[ ] Run the SCF in the old and new basis
[ ] Import both SCFs into the adcc/libtensor framework
[ ] Build an object performing the interpolation small => large.
This is the tricky bit, since one needs to be able to tell libtensor about the
dimensionality (and symmetry) of this matrix.
A very cool feature would be to be able to switch basis sets and use an interpolated previous solution as a guess. This requires roughly the following steps: