PyStoG: Total scattering function manipulator
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Updated
Jun 3, 2024 - Python
PyStoG: Total scattering function manipulator
ADvanced DIffraction Environment - GUI for Reduction of Neturon Time-of-Flight Total Scattering Diffraction Data
A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
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.
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