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mlrap Public
Forked from NianSan-H/mlrapMachine Learning Regression Analyse Packages
Python MIT License UpdatedSep 16, 2024 -
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Calculate the real part of the dielectric function from the imaginary part for vasp users
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useful-scripts Public
Some useful scripts for first-principles calculations.
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2021-SEM-MRes-MaterialStructureAndDynamics-ComputationalWorkshop Public
Forked from Frost-group/2021-SEM-MRes-MaterialStructureAndDynamics-ComputationalWorkshopFiles from the 2021 Soft Electronic Materials MRes Computational Workshop on Material Structure and Dynamics
Jupyter Notebook Other UpdatedNov 3, 2021 -
SQE_phonon Public
Forked from HechtSin/SQE_phononPhonon dynamical structure factor calculation
Python UpdatedOct 27, 2021 -
qmc_workshop_2021 Public
Forked from QMCPACK/qmc_workshop_2021Files for QMC Workshop 2021
Shell UpdatedOct 4, 2021 -
DistortPerovskite Public
Forked from ttadano/DistortPerovskiteScript to generate distorted perovskite structures
Python MIT License UpdatedAug 25, 2021 -
BDM Public
Forked from SMTG-Bham/ShakeNBreakBond Distortion Method to identify the ground-state structure of point defects (as well as lower energy metastable ones)
Jupyter Notebook MIT License UpdatedAug 25, 2021 -
polyhedron_distortion Public
Forked from KazMorita/polyhedron_distortion -
CoFFEE Public
Forked from qtm-iisc/CoFFEECorrections for formation energy and eigenvalues for charged defect simulations
Python BSD 3-Clause "New" or "Revised" License UpdatedAug 10, 2021 -
ARUPS_from_VASP Public
Forked from peterpuschnig/ARUPS_from_VASPFortran code which simulates angle-resolved ultra-violet photoemission spectroscopy (ARUPS) intensity maps based on initial states from a VASP calculation (WAVECAR-file).
Fortran GNU General Public License v3.0 UpdatedJul 23, 2021 -
bands4vasp-1 Public
Forked from QuantumMaterialsModelling/bands4vaspbands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi surfaces, Fermi vectors and spectral functions.
Fortran UpdatedJul 5, 2021 -
ML-For-Beginners Public
Forked from microsoft/ML-For-Beginners12 weeks, 24 lessons, classic Machine Learning for all
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abTEM Public
Forked from abTEM/abTEMab initio Transmission Electron Microscopy
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banddownfolder Public
Forked from mailhexu/banddownfolderDownfold electron/phonon/magnon/etc Hamiltonian
Python BSD 2-Clause "Simplified" License UpdatedJun 26, 2021 -
Lmod: An Environment Module System based on Lua, Reads TCL Modules, Supports a Software Hierarchy
Lua Other UpdatedMay 28, 2021 -
ElATools Public
ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
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matplotlib-tutorial Public
Forked from rougier/matplotlib-tutorialMatplotlib tutorial for beginner
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bands4vasp Public
bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi surfaces, Fermi vectors and spectral functions.
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plot4dft Public
Forked from Nijatt/plot4dftPlot tool for BAND Structure and Density of States(DOS) which generated by VASP or Quantum Espresso
Python UpdatedFeb 16, 2021 -
modnet Public
Forked from ppdebreuck/modnetMODNet: a framework for machine learning materials properties
Jupyter Notebook MIT License UpdatedFeb 5, 2021 -
elphmod Public
Forked from janberges/elphmodPython modules to handle electron-phonon models
Python GNU General Public License v3.0 UpdatedFeb 2, 2021 -
AI4NP_School Public
Forked from Nuclear-Physics-with-Machine-Learning/AI4NP_SchoolNotebooks and saved models for the AI4NP School
Jupyter Notebook MIT License UpdatedJan 27, 2021 -
cp2k_xas_tool Public
Forked from houzf/cp2k_xas_toolBroaden the XAS spectra simulated by CP2K.
Fortran GNU General Public License v2.0 UpdatedJan 23, 2021 -
DensityTool Public
Forked from llodeiro/DensityToolDensityTool post-processing program for VASP
Fortran UpdatedJan 20, 2021 -
cs-video-courses Public
Forked from Developer-Y/cs-video-coursesList of Computer Science courses with video lectures.
UpdatedJan 16, 2021 -
vasp-2 Public
Forked from sshepar2/vaspVarious scripts to manipulate input/output data for/from the VASP program.
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