A few interfaces to external codes are available.

* -> Quantum Package

GAMESS / Gaussian

Using the resultsFile Python library, the geometry and MOs can be read. This is useful to make calculations with CAS - SCF orbitals

Quantum Package -> *


3D plots of Molecular Orbitals


Interface with the FCI - QMC program NECI, or the semi-stochastic Heat-Bath CI program Dice.

QMCPack / CHAMP / QMC=Chem Trial wave functions can be used for QMC, with or without pseudo-potentials. These interfaces are provided as external plugins.