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