keke's repositories
pimd-tutorial
Inputs and hand-outs for a PIMD tutorial based on i-PI
ase-espresso
ase interface for Quantum Espresso
ComputationalPhysics
For best reading of the website use
ComputationalPhysicsMSU
For weekly plans, slides etc this site contains all relevant info
CorrelationFunctions
Pair correlation function, dipole autocorrelation function, cross-correlation function
dynsf
Automatically exported from code.google.com/p/dynsf
libpku
北京大学课程资料整理
nanoengineer
open-source nanotech CAD
phonopy_vasp
This is a bash script which enable us to calculate forces of displacemented crystal structure made by Phonopy using VASP code. It's tested on a Linux cluster system.
psi4public
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
pyflamestk
Python FLAMES Tookit
pyvasp-workflow
A simple yet flexible programmatic workflow of describing, submitting and analyzing VASP jobs.
scientific-python-lectures
Lectures on scientific computing with python, as IPython notebooks.
SciFortran
A library of fortran modules and routines for scientific calculations (*in a way* just like scipy for python)
shadowsocksr
Python port of ShadowsocksR
ThermalTools
LAMMPS plugins for thermal conductivity and density of states calculation
VASP-Matlab
Scripts for creating, reading, visualizing, analyzing data, etc for files for DFT calculations using VASP.