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tools:pwtools [2015/06/05 11:47] oschuetttools:pwtools [2016/02/10 00:56] – update to github repo, update description 78.53.84.61
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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 is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.+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 project is hosted athttps://bitbucket.org/elcorto/pwtools+The project is hosted at https://github.com/elcorto/pwtools
  
 ===== Example =====  ===== Example ===== 
tools/pwtools.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1