Release notes for v1.5


  • New hybrid analysis of output files implemented in pyhande. (T. Ichibha, K. Hongo, R. Maezono and A. J. W. Thom, arXiv:1904.09934)
  • Unit tests for pyhande.
  • Revised, object-oriented python analysis code for FCIQMC/CCMC/FCI implemented in pyhande.


  • pyhande updated for pandas 1.0 compatibility.
  • Multireference CCMC updated to enable use of multiple secondary references (M-A. Filip, C. J. C. Scott and A. J. W. Thom, J. Chem. Theory Comput., 15, 12, 6625-6635) (2019)
  • Quasi-Newton propagation algorithm updated for compatibility with 3D UEGs. Automatic thresholds have also been added. (V. A. Neufeld and A. J. W. Thom, J. Chem. Theory Comput., 16, 3, 1503-1510)


  • Iterative Lanczos algorithm for FCI calculations.

Bug Fixes

  • Various minor memory and parallelism bugs.
  • Unused variables removed from a series of functions.