elcorto/pwtools
pwtools is a Python package for pre- and postprocessing of atomistic 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.
PythonBSD-3-Clause
Stargazers
- ADBurnett
- amirhajibabaeiUniversity of Cambridge
- AntObi@WMD-group @ImperialCollegeLondon
- ArdalanhayatifarCanada
- AsuredaUniversitat de Barcelona
- Bit-Part-YoungSJTU
- epsilon02fft
- Felix-YanVictoria University of Wellington
- hitergeleiHunan University
- JHSchenWuhan University
- kcbhamu
- Kurufinve
- lipelopesoliveiraFederal University of Rio de Janeiro
- lishin
- myhannaResearch Center for Quantum Physics BRIN
- ngastellu
- PhilipwurTU Deflt QAIMS
- ppopeUniversity of Maryland
- qihaoxiaoaiMadison, WI
- qlyang94
- rlaplazaLCMD EPFL
- shahramyalamehaUniversity of Isfahan
- ShuaishuaiYuan
- sonysev
- starofus10
- vikas41299
- yinkaaiwu