Topic: pyiron Goto Github
Some thing interesting about pyiron
Some thing interesting about pyiron
pyiron,Pyiron notebooks from our journal club
Organization: eisenforschung
Home Page: https://pyiron.org
pyiron,Here, one can find different flavours of Dockerfile for building pyiron docker images.
User: max-hassani
pyiron,OVITO Python file reader for the h5 data containers written by pyiron.
Organization: ovito-org
pyiron,Cohesive energy calculated with pyiron and lammps for the majority of the interatomic potentials available at NIST.
Organization: pyiron-dev
Home Page: http://jan-janssen.github.io/cohesive-energy/
pyiron,Calculate Thermal Conductivity for Tersoff potential
Organization: pyiron-dev
pyiron,cp2k interface for pyiron based on pycp2k
Organization: pyiron-dev
pyiron,Generate pyiron JobClasses dynamically
Organization: pyiron-dev
Home Page: https://mybinder.org/v2/gh/jan-janssen/pyiron-dynamic/HEAD
pyiron,Generate pyiron JobClasses dynamically
Organization: pyiron-dev
Home Page: https://mybinder.org/v2/gh/jan-janssen/pyiron-dynamic-executable/HEAD
pyiron,
Organization: pyiron-dev
Home Page: https://mybinder.org/v2/gh/pyiron-dev/pyiron-export-to-mybinder/HEAD
pyiron,Fit a Lennard Jones potential to a DFT dataset
Organization: pyiron-dev
pyiron,"Nonequilibrium free-energy calculation of solids using LAMMPS" Rodrigo Freitas, Mark Asta, and Maurice de Koning. Computational Materials Science
Organization: pyiron-dev
Home Page: https://doi.org/10.1016/j.commatsci.2015.10.050
pyiron,
Organization: pyiron-dev
Home Page: https://mybinder.org/v2/gh/jan-janssen/pyiron-gui-example/master?urlpath=/voila/render/pyiron.ipynb
pyiron,MaterialDigital Demo
Organization: pyiron-dev
Home Page: https://mybinder.org/v2/gh/jan-janssen/pyiron-materialdigital-demo/HEAD
pyiron,Calculate elastic constants with LAMMPS and pyiron with no file system access
Organization: pyiron-dev
pyiron,quantum espresso interface for pyiron based on ase
Organization: pyiron-dev
pyiron,Test DAMASK with pyiron
Organization: pyiron-dev
Home Page: https://mybinder.org/v2/gh/pyiron-dev/test-damask/HEAD?labpath=damask_tutorial.ipynb
pyiron,Software Tools from Atomistics to Phase Diagrams (November 10 and 11, 2020)
Organization: pyiron-workshop
Home Page: https://pyiron.org/phasediagram-workshop-2020
pyiron,Workshop - workflows for atomistic simulation (10-12 March 2021)
Organization: pyiron-workshop
Home Page: https://pyiron.org/potentials-workshop-2021/
pyiron,Tutorials, exercises, and solutions for the pyiron workshop 2020 (April 15 - 17, 2020).
Organization: pyiron-workshop
Home Page: https://pyiron.org/pyiron-virtual-workshop-2020/
pyiron,pyiron - an integrated development environment (IDE) for computational materials science.
Organization: pyiron
Home Page: http://pyiron.org
pyiron,Collaboration with the European Galaxy project located in Freiburg Germany.
Organization: pyiron
Home Page: https://live.usegalaxy.eu/?tool_id=interactive_tool_pyiron
pyiron,pyiron installer based on conda constructor
Organization: pyiron
Home Page: https://github.com/pyiron/pyiron-installer/releases
pyiron,Template repository - how to publish your pyiron workflow
Organization: pyiron
Home Page: http://pyiron.org/pyiron-publication-template/
pyiron,Resource folder for pyiron - an integrated development environment (IDE) for computational materials science.
Organization: pyiron
Home Page: http://pyiron.org
pyiron,Website for pyiron - an integrated development environment (IDE) for computational materials science.
Organization: pyiron
Home Page: http://pyiron.org
pyiron,User developments to extend and modify core pyiron functionality
Organization: pyiron
Home Page: https://pyiron.org
pyiron,pyiron_experimental is based on pyiron_base to develop post processing workflows for experimental applications.
Organization: pyiron
Home Page: https://mybinder.org/v2/gh/pyiron/pyiron_experimental/master
pyiron,Example usage of the generalized dipole correction in DFT using SPHInX (see Freysoldt, et al. PRB 2020)
Organization: pyiron
Home Page: http://pyiron.org/pyiron_generalized_dipole/
pyiron,pyiron_gpl - additional modules for the pyiron IDE licensed under GPLv3
Organization: pyiron
Home Page: https://pyiron.org
pyiron,This notebook shows how to use variance constrained semi grand canonical (VC-SGC) Molecular Dynamics/Monte Carlo (MD/MC) calculations in pyiron
Organization: pyiron
Home Page: http://pyiron.org/pyiron_md_montecarlo/
pyiron,up-scale python functions for high performance computing
Organization: pyiron
Home Page: https://pympipool.readthedocs.io
pyiron,build, analyse and visualise atomistic structures for materials science
Organization: pyiron
pyiron,pyiron job implementation for CINOLA wrapper
User: s4b7r
pyiron,Classical Spin Dynamics Simulation pyiron Workflow
User: s4b7r
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