Solvers for quantum atomic radial equations

Wrap around the EasyBuild bootstrap script for systems without the module command

Deliverable 2.1 to be submitted before 30/10/2016

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

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

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

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

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

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

Materials from the Extended Software Development Workshop in Traunkirchen, Austria, November 16-25, 2016. Presentations and supporting materials developed by David W.H. Swenson and Jan-Hendrik Prinz.

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

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

Potential Energy Surface Library

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

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

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

Additional examples from E-CAM modules that have been incorporated into OpenPathSampling.