robinzyb Goto Github PK

bandalignmenttutorial

chenglabwiki.github.io

XMU Chenglab Wiki

cp2k

Quantum chemistry and solid state physics software package

cp2kdata

cp2k postprocessing tools

cython_tut

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

deepmd-kit-fortran-cpp-interface

deepmd-tutorial

private deepmd-tutorial file

docs

dpdata

Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.

dpdispatcher

generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish

dpgen

The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

ectoolkits

A package to process electrochemical results from atomistic simulations.

github-actions-for-ci

hfpy

Simple Hartree Fock Program practice

i-pi

i-PI: a universal force engine

pycp2k

Python Cp2k interface

recom

robinzyb.github.io

my blog

robinzyb_blog_src

rtdtutorial

scientificfortran

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

stringmethod

Python implementation of the string method to compute the minimum energy path between two points on any 2-dimensional energy landscape.

xmu-undergraduate-thesis-template

A LaTeX template