Release Notes

The current PyRETIS version is: 2.1.0


To upgrade PyRETIS to the latest version, use pip:

pip install -U pyretis

You can determine your currently installed version using pip freeze:

pip freeze | grep pyretis

Version history

0.1.0 (2016.01.01)

  • Non-public release
  • This release was mainly used for testing simple 1D and 2D potentials.

0.2.0 (2016.10.01)

  • First semi-public release. This release was used for demonstrating the RETIS algorithm in a hands-on session at the CECAM School “Multiscale Simulations of Soft Matter with Hands-On Tutorials on ESPResSo++ and VOTCA”, Schloss Waldthausen in Mainz, October 10 to 13 2016.

0.6.0 (2017.03.22)

  • Added restart capabilities.
  • Added capabilities for using GROMACS.

0.9.0 (2017.04.10)

  • Improved restart capabilities.
  • Added CP2K interface.

1.0.0 (2017.08.18)

  • First real public release.