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2017-cmp

computational physics class - 2017 fall

bandup

BandUP: Band Unfolding code for Plane-wave based calculations

chinese-poetry

The most comprehensive database of Chinese poetry 🧶最全中华古诗词数据库, 唐宋两朝近一万四千古诗人, 接近5.5万首唐诗加26万宋诗. 两宋时期1564位词人，21050首词。

chronusq_public

The public repository of the Chronus Quantum (ChronusQ) Software Package

firstprinciple

This repository is for the course of First Principle at NTU,Guo Guan-Yu, 2017 Fall

fold2bloch-vasp

Unfolding the band structure of a supercell obtained with VASP

geminigraph

A computation-centric distributed graph processing system.

heom-quick

heom_amber

kib

network-science-with-python-and-networkx-quick-start-guide

Network Science with Python and NetworkX Quick Start Guide, published by Packt

periodic-nbo

phonopy-spectroscopy

A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.

probeparticlemodel

classical forcefiled model for simulation atomic force microscopy images

pyxaid-code

The main branch of the Pyxaid code

pyxaid2

salmon

Scientific program for first-principles electron dynamics calculations

schrpoisson_2dmaterials

A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)

sharc

The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.

sk_tb

Slater Koster tight binding

slabcc

SLABCC: Total energy correction code for charged periodic slab models

tbm3

Tight-Binding Modeling for Materials at Mesoscale

tbmd

Tight binding molecular dynamics code to model carbon structures (linear carbon chains, fullerenes, graphene, etc.)

ts-tbt-sisl-tutorial

Tutorials for the sisl-TBtrans-TranSiesta suite

ustc-cs-courses-resource

USTC计算机学院课程资源