QMCPACK Release v3.9.2 - 2020-04-29

Download QMCPACK v3.9.2


This is an important bug fix release. As described in GitHub issue #2330, since v3.8.0 the timestep was not correctly changed between different DMC blocks if the time step was changed in the input, biasing the results. Runs using a single time step were not affected. Thanks to Chandler Bennett for identifying the problem.

  • Bug fix: timestep was not correctly changed between DMC blocks if it was changed in the input #2330.
  • qmcfinitesize tool added #2329.
  • QMCPACK spack package now supports AFQMC #2237.
  • Improvements to deterministic tests: these are now fully reliable other than for some CUDA builds and some mixed precision CPU configurations.
  • Many improvements to cmake configuration for faster builds, e.g. #2389.
  • Ongoing source cleanup and fewer compile-time warnings, e.g. #2375.