INTERFACES(1)

NAME
interfaces - | Quantum Package >

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 -> *

Molden
    3D plots of Molecular Orbitals

FCIDUMP
    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.

AUTHOR
A. Scemama, E. Giner

COPYRIGHT
2019, A. Scemama, E. Giner