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2DMaterialsOpticalProps
2DMaterialsOpticalProps PublicA fully ab‑initio toolkit for linear–response and spectroscopy of quasi two‑dimensional (2D) materials using Quantum‑Electrodynamic Many‑Body Theory.
Fortran 1
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plotly-mathematica
plotly-mathematica PublicA package for plotting plot.ly graphs in Wolfram Mathematica
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Free-Energy-Scripts
Free-Energy-Scripts PublicA set of scripts designed for batch creation of Gromacs inputs for Free Energy calculations (TI,BAR,MBAR,Umbrella sampling)).
Python 2
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docker-vasp
docker-vasp PublicVASP Dockerfile and necessary Makefile configuration to work with libxc and hdf5.
Dockerfile
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