search

insilichem / gaudi

GaudiMM: A modular optimization platform for molecular design
http://gaudi.readthedocs.io
GNU Lesser General Public License v3.0
32 stars 14 forks source link

psi4 support #10

Open jaimergp opened 5 years ago

jaimergp commented 5 years ago

Provide an objective that wraps psi4. This open-source QM software has Python bindings and conda packages, so it suits us better than NWChem.