Companion repository for the paper "An Always Accepting Algorithm for Transition Path Sampling" aka "AAA-TPS"
The necessary software for the execution of the notebooks and the instruction for its installation can be found in the folder conda_envs. In particular see the header of the file spec-file_aaa_tps.txt.
To install the package with the TPS algorithms, open a terminal in the main folder and run pip install -e . which installs the package in edit mode. In this way there is no need to reinstall the package every time the source is modified.
Do not hesitate to open issues for bugs or questions.