zhangdft's repositories
Python-scientific-computation
《Python科学计算》第二版张若愚老师的演示代码
academicpages.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
Language:JavaScriptMIT000
COelectroCATMAPfiles
CATMAP input files and VASP structure files for Nature Catalysis CO electrooxidation manuscript
Language:Python000
fftool
Tool to build force field input files for molecular simulation.
Language:PythonMIT000
Lammps_tools
Some scripting tools used for lammps input or output
Language:MATLABGPL-3.0000
long-live-the-battery
Predicting total battery cycle life time with machine learning
Language:Jupyter Notebook000
p3m-standalone
A reference implementation for P3M electrostatics algorithms
Language:C000
pybader
Threaded implementation of grid-based Bader charge analysis.
Language:PythonMIT000
pymatgen_examples
Some examples of using pymatgen code
Language:Python000
SciencePlots
Matplotlib styles for scientific plotting
Language:PythonMIT000
Language:Perl000