Project deliverable Open Access

D3.5: QuantumDynamics E-CAM modules IV

Ahai Chen

In this report for Deliverable 3.5 of E-CAM, 6 software modules in quantum dynamics are presented. 
All modules stem from the activities initiated during the State-of-the-Art Workshop (https://www.cecam.org/workshop1774/) held at Lyon (France) in June 2019 and the Extended Software Development Workshop in Quantum Dynamics (https://www.cecam.org/workshop1697/), held at Durham University (UK) in July 2019. The modules originate from the input of E-CAM's academic user base. They have been developed by members of the project (S. Bonella EPF-L), established collaborators (G. Worth University College London, S. Gomez University of Vienna, C. Sanz University of Madrid, D. Lauvergnat Univeristy of Paris Sud) and new contributors to the E-CAM repository (F. Agostini University of Paris Sud, Basile Curchod University of Durham, A. Schild ETH Zurich, S. Hupper and T. Plé Sorbonne University, G. Christopoulou University College London). The presence of new contributors indicates the interest of the community in our efforts. Furthermore, the contributors to modules in WP3 continue to be at different stages of their careers (in particular, Thomas Plé and G. Christopoulou are PhD students) highlighting the training value of our activities. 

Following the order of presentation, the 6 modules are named: CLstunfti, PIM_QTB, PerGauss, Direct Dynamics Database, Exact Factorization Analysis Code (EFAC), and GuessSOC. In this report, a short description is written for each module, followed by a link to the respective Merge-Request document on the GitLab service of E-CAM. These merge requests contain detailed information about the code development, testing and documentation of the modules. 
 

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