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Solvers for quantum atomic radial equations
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Wrap around the EasyBuild bootstrap script for systems without the module command
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Deliverable 2.1 to be submitted before 30/10/2016
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This repository is home to the modules that are generated by the Electronic Structure work package (including from ESDWs, post-docs and other sources).
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This repository is home to the modules that are generated by the Classical MD work package (including from ESDWs, post-docs and other sources).
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This repository is home to the modules that are generated by the Electronic Structure work package (including from ESDWs, post-docs and other sources).
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This repository is home to the modules that are generated by the Classical MD work package (including from ESDWs, post-docs and other sources).
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This repository is home to the modules that are generated by the Classical MD work package (including from ESDWs, post-docs and other sources).
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This repository is home to the modules that are generated by the Classical MD work package (including from ESDWs, post-docs and other sources).
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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.
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This repository is home to the modules that are generated by the Quantum Dynamics work package (including from ESDWs, post-docs and other sources).
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This repository is home to the modules that are generated by the Quantum Dynamics work package (including from ESDWs, post-docs and other sources).
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Potential Energy Surface Library
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This repository is home to the modules that are generated by the Quantum Dynamics work package (including from ESDWs, post-docs and other sources).
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This repository is home to the modules that are generated by the Quantum Dynamics work package (including from ESDWs, post-docs and other sources).
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This repository is home to the modules that are generated by the Quantum Dynamics work package (including from ESDWs, post-docs and other sources).
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Additional examples from E-CAM modules that have been incorporated into OpenPathSampling.