tsiangsun

DataVisual

Data Visualization Scripts using Matlab

Python

Python scripts

Shell

autobot

cardeal

examples

Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.

FGR

FGR Transfer Rate

flask-login

A minimal flask app with login functionality

flask-stock

JADE

JADE: an on-the-fly surface hopping package for poly-atomic systems developed by Prof. Z. Lan and co-workers (http://jade-package.github.io/JADE)

jupyter_notebook

leetcode

Solutions to leetcode problems in Python

libra-code

Mathematica

MyFlaskTutorial

Flask Tutorial

notes

Taking notes in the Wiki section

Ring-Polymer-Molecular-Dynamics-in-Python-and-cpp

In this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(TCF) of coordinate <q(0)q(t)>. Two kinds of thermostat have been tested.

SH-RP-iso

Ring-polymer surface hopping (SH-RP-iso) for the simple example of a two-level scattering problem in one dimension

tdi

test

TPS

Transition Path Sampling

tsiangsun.github.io

Personal site using a Jekyll theme - Minimal Mistakes.