gbzhang Goto Github PK

a-code-for-fatband-plot

cluster_monte_carlo

Exploration of metropolis-hastings (local) and Uli Wolff (cluster) algorithms on the Ising Model

comet_matplotlib

Comet plot in matplotlib

config

disorder

A code for generating irreducible site-occupancy configurations

dotfiles

bash + tmux + neovim

emc

Effective Mass Calculator for Semiconductors

fdintegral_table

Solving Fermi-Dirac Integral using table method

heat-conductivity-hnemd

A 350-line C code for heat conductivity calculations using homogeneous nonequilibrium molecular dynamics (HNEMD).

hefei-namd

ab-initio nonadiabatic molecular dynamics program

hphi

Quantum Lattice Model Simulator Package

lvthw

mos2-band-structure

Band structure of bulk 2H-phase MoS2

mpipymc

A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.

mst2

neovim-config

Setting up Neovim as an IDE for Python

nonlinear_physics

非线性物理课程

pkucomputationalphysics

计算物理作业 - 2018 / Exercises from CP courses

sk_tb

Slater Koster tight binding

tbhcnn

Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB model for the InSe nanoribbon; Check the example_variation_one.py to optimize a given Wannier TB model for 2-D black phosphorus.

vampire

Atomistic simulator for magnetic materials

vasp-plot-modes

Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP

vasp-tools

A collection of routines for dealing with VASP input/output

vasp2wan90_v2_fix

Fixing the VASP2WANNIER90v2 interface

vegas

Adaptive multidimensional Monte Carlo integration.