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tools:pwtools [2016/03/15 14:22] – add link to documentation 46.189.32.222tools:pwtools [2018/03/06 23:13] – [Pwtools for pre- and postprocessing] fix typo 92.224.51.3
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 ====== Pwtools for pre- and postprocessing ====== ====== Pwtools for pre- and postprocessing ======
  
-The pwtools package, written by Steve Schmerler, is a Python package for pre- and postprocessing of atomic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It has tools extending numpy/scipy and a set of powerful parsers and data types for storing calculation data in a code-agnositc manner, thereby enabling easy comparison and interchange of results from different codes.+The pwtools package, written by Steve Schmerler, is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It has tools extending numpy/scipy and a set of powerful parsers and data types for storing calculation data in a code-agnositc manner, thereby enabling easy comparison and interchange of results from different codes.
  
 The project is hosted at https://github.com/elcorto/pwtools. Documentation can be found at http://elcorto.github.io/pwtools The project is hosted at https://github.com/elcorto/pwtools. Documentation can be found at http://elcorto.github.io/pwtools
tools/pwtools.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1