Pinned Repositories
aimsgb
Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
ASE_ANI
ANI-1 neural net potential with python interface (ASE)
Auto-Review-Generator
自动读取本地pdf文献并提取标题、作者、摘要和结论生成综述。Read and translate English literature to generate review automatically.
chemical_vae
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
cxxopts
Lightweight C++ command line option parser
dft-book
A book on modeling materials using VASP, ase and vasp
fold2Bloch-Wien2k
Unfolding of first-principle electronic band structure
GB_code
A grain boundary generation code
pyband
band plot using python matplotlib
PyProcar
A python package for analyzing PROCAR files obtained from VASP and Abinit
syllzp's Repositories
syllzp/cxxopts
Lightweight C++ command line option parser
syllzp/pyband
band plot using python matplotlib
syllzp/sumo
Heavyweight plotting tools for ab initio calculations
syllzp/vasp-2
New ASE compliant Python interface to VASP
syllzp/vesta_vectors
A Python 3 script to visualise the extent of atomic displacement using the Vesta file format
syllzp/aimsgb
Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
syllzp/ASE_ANI
ANI-1 neural net potential with python interface (ASE)
syllzp/Auto-Review-Generator
自动读取本地pdf文献并提取标题、作者、摘要和结论生成综述。Read and translate English literature to generate review automatically.
syllzp/chemical_vae
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
syllzp/fold2Bloch-Wien2k
Unfolding of first-principle electronic band structure
syllzp/GB_code
A grain boundary generation code
syllzp/PyProcar
A python package for analyzing PROCAR files obtained from VASP and Abinit
syllzp/grasp
General Relativistic Atomic Structure Package
syllzp/Hefei-NAMD
ab-initio nonadiabatic molecular dynamics program
syllzp/hybrid-perovskites
DFT optimised crystal structures of inorganic and hybrid halide perovskites
syllzp/JAC.jl
Jena Atomic Calculator
syllzp/JuddOfeltSolver
Small program to solve Judd-Ofelt problems
syllzp/MacroDensity
Analyse VASP density & potential grids using python
syllzp/pygra
Python library to compute different properties of tight binding models
syllzp/Python-2D-Simulation-of-Schrodinger-Equation
Une simulation de l'évolution d'un paquet d'onde gaussien
syllzp/python_plot_examples
some useful python scripts
syllzp/qexsd
Quantum Espresso tools for XML Schema based Documents
syllzp/QMPython
Quantum Mechanics and Schrodinger Equation Solvers in Python.
syllzp/syllzp.github.io
syllzp/upho
Band unfolding for phonons
syllzp/UsefulPythonSnippet
Some useful python scrippets
syllzp/VASP-plot-modes
Code to convert DFPT modes in OUTCAR files to VESTA images
syllzp/VASP-script
syllzp/VASP_PROCAR
A python class for VASP PROCAR file
syllzp/VASPy
Manipulating VASP files with Python.