Search Results for "postprocessing"
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2 projects for "postprocessing" with 2 filters applied:
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orbkit (Moved to Github)
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
...If you use orbkit in your work, please cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. Comput. Chem. 2016, DOI: 10.1002/jcc.24358. orbkit's documentation can be found at http://orbkit.github.io/ -
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gvpp - Velocity Prediction Program
VPP - Velocity Prediction Program
.... ###### A python version is currently under development and available upon request, please contact me at gianmail+gvpp@gmail.com ###### The new beta version replaces the previous alpha version after some bugs fixing and enhancements in the postprocessing output.
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