Pinned Repositories
Arcomage
A game rebuilt derived from Might and Magic VII
blog
Source code and other material for my blog posts.
Exp_GCMS-data
To obtain GC-MS area automatically from the computer
Exp_IR-SeriesPlotting
Plot time-dependent IR spectra
Exp_NonLinearEquations
Solve non-linear (overdetermined) equations by scipy.optimize.leastsq
Exp_NonLinearEquationsLMFIT
Solve non-linear (overdetermined) equations by LMFIT pack
Exp_ReactionRateCalc
Help calculate reaction rate related parameters from original data
Exp_SciTools
Using Python LMFIT to fit peaks
MS_MullikenPopulationArrayDMol3
To plot Mulliken Population Array
VASP-Kezhi
Personal scripts for VASP
Li-Kezhi's Repositories
Li-Kezhi/Exp_GCMS-data
To obtain GC-MS area automatically from the computer
Li-Kezhi/MS_MullikenPopulationArrayDMol3
To plot Mulliken Population Array
Li-Kezhi/Arcomage
A game rebuilt derived from Might and Magic VII
Li-Kezhi/blog
Source code and other material for my blog posts.
Li-Kezhi/Exp_IR-SeriesPlotting
Plot time-dependent IR spectra
Li-Kezhi/Exp_NonLinearEquations
Solve non-linear (overdetermined) equations by scipy.optimize.leastsq
Li-Kezhi/Exp_NonLinearEquationsLMFIT
Solve non-linear (overdetermined) equations by LMFIT pack
Li-Kezhi/Exp_ReactionRateCalc
Help calculate reaction rate related parameters from original data
Li-Kezhi/Exp_SciTools
Using Python LMFIT to fit peaks
Li-Kezhi/VASP-Kezhi
Personal scripts for VASP
Li-Kezhi/Exp_Soft_X_Ray_Data_Formatting
Formatting file to support Athena
Li-Kezhi/Exp_SRXRD-Formatting
Li-Kezhi/Exp_TEM2XRD
Transform diffraction image to XRD-like data
Li-Kezhi/gitignore
A collection of useful .gitignore templates
Li-Kezhi/INCAR
A generic INCAR file for the density functional theory package VASP
Li-Kezhi/Li-Kezhi.github.io
Li-Kezhi/MacroDensity
Analyse VASP density & potential grids using python
Li-Kezhi/mpltex
mpltex is a python package for producing publication quality images using matplotlib.
Li-Kezhi/scripts
Various scripts used to maintain Fink, the web site and the binary distribution. They are not intended for use by the general public.
Li-Kezhi/ScriptsForVASP
Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and analysis.
Li-Kezhi/spa2csv
Simple converter for Thermo Fisher Scientific spectrum binary format *.SPA
Li-Kezhi/thuthesis
LaTeX Thesis Template for Tsinghua University
Li-Kezhi/VASP-scripts
my scripts folder, now in sync
Li-Kezhi/vasp_scripts
Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.
Li-Kezhi/vasputil
Command-line utilities and Python libraries designed to make life with VASP easier
Li-Kezhi/VASPy
Processing VASP files with Python