brucefan1983/VASP-post-processing

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Created over 5 years ago
Updated over 3 years ago

brucefan1983/VASP-post-processing

brucefan1983

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Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.

CUDA-Programming

Sample codes for my CUDA programming book

GPUMD

Graphics Processing Units Molecular Dynamics

Molecular-Dynamics-Simulation

Sample codes for my book on molecular dynamics simulation

Jupyter Notebook

NEP_CPU

CPU version of NEP

gpuqt

A CUDA-implementation of linear-scaling quantum transport methods

GPUGA

Graphics Processing Units Genetic Algorithm

AGF-phonon-transport

A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport

LSQT-Jupyter

A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)

Jupyter Notebook

solid-state-physics

Sample codes on computational solid state physics

NEGF-phonon-1D-matlab

A 100-line Matlab code for phonon transport in 1D atomic chain using the NEGF method

MATLADY

A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials

dynamical-matrix-matlab

A 200-line MATLAB code for calculating the dynamical matrix using the Tersoff potential

lsqt-matlab

A 200-line MATLAB code for a linear-scaling quantum transport method

simple-ga-matlab

A 50-line Matlab implementation of a simple genetic algorithm

RGF-electron-matlab

A 100-line MATLAB code for the recursive Green's function method for electron transport

hello-world

my first github project