shenglin1001 Goto Github PK

1st_vaspkit_cup

Source codes of the 1st VASPKIT-PAPATERA CUP Awards

ase

Atomic Simulation Environment - mirrored from https://gitlab.com/ase/ase

atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

blogcomment.github.io

canter_processing_tool

This is the CANTER Processing Toolbox created to offer various tools for IT-AFM data analysis.

chatgptbox

Integrating ChatGPT into your browser deeply, everything you need is here

hetbuilder

Builds 2D heterostructures via coincidence lattice theory.

interface_master

A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).

lammps_tools

Some scripting tools used for lammps input or output

latgen

Code to generate crystalline lattice with different orientations.

learning_research

他人的科研经验

mlmd

MLMD: a programming-free AI platform to predict and design materials

multiwfn-mirror

Multiwfn: A Multifunctional Wavefuntion Analyzer

myalloy_package

合金

ogreinterface

Package for creating and optimizing lattice matched and domain matched epitaxial interfaces.

open3d

Open3D: A Modern Library for 3D Data Processing

p4vasp

p4vasp, the VASP Visualization Tool

pjvasp_package

For DFT calculations.

py4vasp

Python interface for VASP

shenglin1001

My personal repository

shenglin1001.github.io

surfflow

High-throughput workflows to calculate surface energies of solids.

vasp_opt_axis

Fix lattice component(s) during relaxation in VASP

vasp_scripts

Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.

vasp_uniaxi_biaxi_stretch

For thin film of hcp gold, We execute uniaxial / biaxial stretch to calculate the inplane young's modulus

vaspup2.0

VASP Convergence Testing (for Energy & Dielectric Constants)