Welcome to PyRETIS!¶
PyRETIS contains PyVisA, a Python library to on-the-fly/post-processing analysis, plotting and visualizations with a GUI interface.
PyRETIS is open source, easy to use and can be interfaced with other simulation packages such as GROMACS, LAMMPS or CP2K.
You can use the PyRETIS library to set up tailored simulations or you can use a Python flavored input file to run different kinds of path sampling simulations. Please see the user guide for information about the usage and how to obtain and install PyRETIS.