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This module solve the weighted linear ridge regression problem
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Repository for creating the transition state ensemble module for OpenPathSampling
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shooting range shooter for openpathsampling
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Solvers for quantum atomic radial equations
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Solvers for quantum atomic radial equations
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Solvers for quantum atomic radial equations
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Lecture and tutorial on software testing, with applications to OpenPathSampling.
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Lecture and tutorial on software testing, with applications to OpenPathSampling.
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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).