Right now we are supporting only the very basic features of pyscf and psi4: SCF, CISD, CCSD, MP2 and FCI. But these, especially pyscf do much more including DMET, DMRG, MRPT, MCSCF, NEVPT2, plane wave basis sets, DFT and more. We should also expose to the FermiLib user more options for messing around with the SCF calculation parameters.
Right now we are supporting only the very basic features of pyscf and psi4: SCF, CISD, CCSD, MP2 and FCI. But these, especially pyscf do much more including DMET, DMRG, MRPT, MCSCF, NEVPT2, plane wave basis sets, DFT and more. We should also expose to the FermiLib user more options for messing around with the SCF calculation parameters.
We also need more testing of both libraries.