QMCPACK Release v3.1.1 – 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)