Search Results for "cli-parser"
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Showing 3 open source projects for "cli-parser"
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orbkit (Moved to Github)
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. 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. ... -
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A Python package that provides classes and tools for dealing with dimensional quantities. Includes a parser for the quantity language (i.e. calculates "3 meters per second in miles per hour") and a class for constructing matrices containing dimensions.
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This compact function parser module written in Fortran95 is intended for applications where a set of Fortran-style mathematical expressions is specified at runtime and is then evaluated for a large number of variable values.
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