Projects

Updated 9 months ago

lindemann • Rank 9.1 • Science 77%

lindemann is a python package to calculate the Lindemann index of a lammps trajectory

analysis cheminformatics chemistry chemoinformatics gromacs lammps lammps-trajectory lindemann lindemann-index md-simulation molecular-dynamics ovito phase-transition phase-transitions simulation temperature-ramps transition-phase

Updated 9 months ago

https://github.com/killiansheriff/atomisticreversemontecarlo • Rank 7.0 • Science 49%

OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.

high-entropy-alloys materials-science monte-carlo monte-carlo-simulation order-parameters ovito python-modifiers reverse-monte-carlo warren-cowley-parameters

Updated 9 months ago

https://github.com/killiansheriff/warrencowleyparameters • Rank 8.6 • Science 36%

OVITO Python modifier to compute the Warren-Cowley parameters.

high-entropy-alloys materials-science order-parameters ovito python-modifiers warren-cowley

Updated 9 months ago

https://github.com/pierrehirel/atomsk • Science 36%

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

ab-initio atomeye atomic-design atomistic-simulations cheminformatics cif crystal-builder dislocation file-conversion gulp lammps materials-science open-source ovito physics-simulation polycrystal quantum-espresso science siesta vasp

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Open Source Science

lindemann • Rank 9.1 • Science 77%

https://github.com/killiansheriff/atomisticreversemontecarlo • Rank 7.0 • Science 49%

https://github.com/killiansheriff/warrencowleyparameters • Rank 8.6 • Science 36%

https://github.com/pierrehirel/atomsk • Science 36%