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mse404 Public
MSE404 labs @ Imperial College London, Department of Materials
HTML Other UpdatedAug 5, 2024 -
tutorials-ccx Public
Forked from onetep-devel/tutorialsTutorials for the ONETEP Linear-Scaling DFT Code
Jupyter Notebook MIT License UpdatedJul 31, 2024 -
Tools Public
DFT post processing tools
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RotSph Public
Rotation Matrix for Real Spherical Harmonics
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pymatgen Public
Forked from materialsproject/pymatgenPython Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …
Python Other UpdatedMay 3, 2024 -
onetep-tutorials-mkdocs Public
Tutorials for the ONETEP Linear-Scaling DFT Code
HTML UpdatedJan 15, 2024 -
sumo Public
Forked from SMTG-Bham/sumoHeavyweight plotting tools for ab initio calculations
Python MIT License UpdatedJan 10, 2024 -
VASP2WAN90_v2_fix Public
An updated version of the VASP2WANNIER90v2 interface
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WOBSTER Public
Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction
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serverless-dns Public
Forked from serverless-dns/serverless-dnsThe RethinkDNS resolver that deploys to Cloudflare Workers, Deno Deploy, Fastly, and Fly.io
JavaScript Mozilla Public License 2.0 UpdatedFeb 28, 2023 -
VASP_LOL Public
VASP - Localized Orbital Locator + Electron Localizability Indicator
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autograd Public
Forked from HIPS/autogradEfficiently computes derivatives of numpy code.
Python MIT License UpdatedSep 29, 2022 -
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VASP_OPT_AXIS Public
Fix lattice component(s) during relaxation in VASP
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mpiPyMC Public
A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.
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Periodic_NBO Public archive
Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry
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wanPB Public
Converting Wannier90's Hamiltonian to pybinding compatible format.
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CP2K_tools Public
Forked from RobinLi-95/CP2K_toolsCodes for preparing/postprocessing CP2K input/output files
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wanSOC Public
Add on-site SOC to Wannier Hamiltonian.
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jsmol-models Public
Forked from concord-consortium/jsmol-modelsJavaScript MIT License UpdatedFeb 23, 2021 -
p4vasp Public
Forked from orest-d/p4vaspp4vasp, the VASP Visualization Tool
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homebrew-extras Public archive
Forked from agiliopadua/homebrew-extrasSome Homebrew formulae.
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VASP_DF2-C09 Public
This repo adds vdW-DF2-C09 exchange correlation functional to VASP
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