New QMCPACK release v3.1.1

Posted on Aug 2, 2017

We are happy to announce a new release of QMCPACK. The new version is available on GitHub https://github.com/QMCPACK/qmcpack/releases and https://github.com/QMCPACK/qmcpack/archive/v3.1.1.tar.gz

— QMCPACK Developers

[3.1.1] – 2017-08-01

Notes

This is a bugfix release and recommended update.

QMCPACK updates

  • Added numerical tolerance to check of jastrow cutoff and Wigner Seitz radius.
  • CMake correctly configures when MPI is not present.
  • Improved support for test coverage measurements.
  • Added unit tests for some estimators.

NEXUS

  • IPython compatible exit handling (from Duy Le)