manual   quickstart   instguide   update   basis

Next: Quasi-variational coupled-cluster theory Up: Recent Changes Previous: 0.0.1 New density-fitting DFT-SAPT   PDF

New features of MOLPRO2012.1

A summary of the features in Molpro can be found in a recent review: H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, and M. Schütz, Molpro - a general purpose quantum chemistry program package, WIRES Comput. Mol. Sci. 2, 242 (2012), doi:10.1002/wcms.82.

The new features of MOLPRO version 2012.1 include the following.

Subsections 2017-10-23