This module solve the weighted linear ridge regression problem

Repository for creating the transition state ensemble module for OpenPathSampling

shooting range shooter for openpathsampling

Solvers for quantum atomic radial equations

Solvers for quantum atomic radial equations

Solvers for quantum atomic radial equations

Lecture and tutorial on software testing, with applications to OpenPathSampling.

Lecture and tutorial on software testing, with applications to OpenPathSampling.

This repository is home to the modules that are generated by the Quantum Dynamics work package (including from ESDWs, post-docs and other sources).