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matcalc Public
Forked from materialsvirtuallab/matcalcA python library for calculating materials properties from the PES
Python BSD 3-Clause "New" or "Revised" License UpdatedJun 10, 2025 -
DeepH-pack Public
Forked from mzjb/DeepH-packDeep neural networks for density functional theory Hamiltonian.
Python GNU Lesser General Public License v3.0 UpdatedJun 3, 2025 -
wannier_tools Public
Forked from quanshengwu/wannier_toolsWannierTools: An open-source software package for novel topological materials. Full documentation:
Fortran GNU General Public License v3.0 UpdatedMay 28, 2025 -
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SHTOOLS Public
Forked from SHTOOLS/SHTOOLSSHTOOLS - Spherical Harmonic Tools
Python BSD 3-Clause "New" or "Revised" License UpdatedApr 23, 2025 -
WannSymm Public
Forked from ccao/WannSymmSymmetry analysis and symmetrize in Wannier orbitals
C BSD 3-Clause "New" or "Revised" License UpdatedMar 26, 2025 -
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dynamics-w90 Public
Forked from michaelschueler/dynamics-w90A collection of codes to compute dynamics and response quantities from Wannier90 output
Fortran UpdatedDec 3, 2024 -
DeepSeek-V2 Public
Forked from deepseek-ai/DeepSeek-V2DeepSeek-V2: A Strong, Economical, and Efficient Mixture-of-Experts Language Model
MIT License UpdatedSep 25, 2024 -
pyrovskite Public
Forked from r2stanton/pyrovskiteA software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.
Python GNU General Public License v3.0 UpdatedSep 8, 2024 -
DeePTB Public
Forked from deepmodeling/DeePTBDeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
Python GNU Lesser General Public License v3.0 UpdatedAug 8, 2024 -
VASPsol Public
Forked from henniggroup/VASPsolSolvation model for the plane wave DFT code VASP.
Fortran Other UpdatedJul 18, 2024 -
abacus-develop Public
Forked from abacusmodeling/abacus-developAn electronic structure package based on either plane wave basis or numerical atomic orbitals.
C++ GNU Lesser General Public License v3.0 UpdatedApr 28, 2024 -
tbplas Public
Forked from deepmodeling/tbplasRepository of TBPLaS (tight-binding package for large-scale simulation)
Other UpdatedApr 11, 2024 -
BerkeleyGW-examples Public
Forked from BerkeleyGW/BerkeleyGW-examplesBerkeleyGW examples
Standard ML UpdatedFeb 23, 2024 -
TB2J-OpenMX Public
Forked from mailhexu/TB2J-OpenMXThe TB2J interface to OpenMX.
Python GNU General Public License v3.0 UpdatedFeb 18, 2024 -
pyatb Public
Forked from pyatb/pyatbAb initio tight binding simuation package
Python GNU General Public License v3.0 UpdatedDec 9, 2023 -
TB2J Public
Forked from mailhexu/TB2Ja python package for computing magnetic interaction parameters
Python BSD 2-Clause "Simplified" License UpdatedNov 17, 2023 -
OMXTool Public
Forked from Ncmexp2717/OMXToolGraphical Utility Tool for OpenMX.
Shell GNU General Public License v3.0 UpdatedNov 12, 2023 -
ucasthesis Public
Forked from mohuangrui/ucasthesisLaTeX Thesis Template for the University of Chinese Academy of Sciences
TeX UpdatedJun 19, 2023 -
form Public
Forked from form-dev/formThe FORM project for symbolic manipulation of very big expressions
C GNU General Public License v3.0 UpdatedApr 20, 2023 -
pyGWBSE Public
Forked from cmdlab/pyGWBSEpython workflow for GW-BSE calculation
Jupyter Notebook GNU General Public License v3.0 UpdatedFeb 15, 2023 -
GenELPA Public
Forked from pplab/GenELPAAn easy-to-use ELPA interface to solve generalized eigenvalue problems.
C++ UpdatedJul 8, 2022 -
TransOpt Public
Forked from yangjio4849/TransOptThe package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical conductivities, and electronic thermal conductivities) by using …
Fortran UpdatedJun 10, 2022 -
wigner Public
Forked from ogorton/wignerLibrary for Wigner 3-j 6-j and 9-j functions using Racah equations from Edmonds
Fortran MIT License UpdatedMay 18, 2022 -
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meep Public
Forked from NanoComp/meepfree finite-difference time-domain (FDTD) software for electromagnetic simulations
C++ GNU General Public License v2.0 UpdatedMar 3, 2022
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