Topic: cp2k Goto Github
Some thing interesting about cp2k
Some thing interesting about cp2k
cp2k,A toolkit featured artificial intelligence × ab initio for computational chemistry research.
Organization: chenggroup
Home Page: http://wiki.cheng-group.net/ai2-kit_doc
cp2k,Python tools to handle CP2K output files
Organization: cp2k
cp2k,DBCSR: Distributed Block Compressed Sparse Row matrix library
Organization: cp2k
Home Page: https://cp2k.github.io/dbcsr/
cp2k,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.
User: elcorto
Home Page: https://elcorto.github.io/pwtools
cp2k,
Organization: epcced
cp2k,Generalized Extended Broken Symmetry optimization
User: francescocappelluti
cp2k,Python tool to manipulate Gaussian cube files
User: funkymunkycool
cp2k,High-Performance configuration patterns and recipes.
User: hfp
cp2k,Package for extracting the data from cp2k program, which was well known as tool for ab initio molecular dyanmics.
User: minu928
cp2k,scalable molecular simulation
Organization: molmod
Home Page: https://molmod.github.io/psiflow/
cp2k,Analysis tools for CP2K and other simulation software
User: nholmber
cp2k,CDFT Development Branch for CP2K
User: nholmber
cp2k,A package for converting CP2K input files into PLAMS-compatible dictionaries.
Organization: nlesc-nano
cp2k,A library to parse CP2K basis sets and GTH pseudopotentials, which also comes with a webserver to find out and select a basis set and its matching pseudopotential for your CP2K calculations.
User: pierre-24
Home Page: https://cp2k-basis.pierrebeaujean.net/
cp2k,cp2k interface for pyiron based on pycp2k
Organization: pyiron-dev
cp2k,This Python package is intended to help running multiple CP2k calculations for the same system or multiple similar systems.
Organization: singroup
cp2k,AiiDA plugin for Bader charge analysis
User: superstar54
Home Page: https://aiida-bader.readthedocs.io/en/latest/
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