Topic: vasp Goto Github
Some thing interesting about vasp
Some thing interesting about vasp
vasp,Phonon anharmonicity analysis from molecular dynamics
User: abelcarreras
Home Page: http://abelcarreras.github.io/DynaPhoPy/
vasp,A plugin to AiiDA for running simulations with VASP
Organization: aiida-vasp
Home Page: https://aiida-vasp-plugin.readthedocs.org/en/latest
vasp,High-throughput DFT of MOFs using ASE/VASP
User: andrew-s-rosen
vasp,High throughput workflow tools for characterizing 2D materials in VASP.
User: ashtonmv
vasp,Generate random alloys and compute various properties
User: asif-iqbal-bhatti
Home Page: https://asif-iqbal-bhatti.github.io/High-Entropy-Alloys/
vasp,BandUP: Band Unfolding code for Plane-wave based calculations
Organization: band-unfolding
Home Page: http://www.ifm.liu.se/theomod/compphys/band-unfolding
vasp,vasp calculation flow
User: changchunhe
Home Page: https://pyvaspflow.readthedocs.io
vasp,Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry
User: chengcheng-xiao
vasp,An updated version of the VASP2WANNIER90v2 interface
User: chengcheng-xiao
vasp,Fix lattice component(s) during relaxation in VASP
User: chengcheng-xiao
vasp,A toolkit featured artificial intelligence × ab initio for computational chemistry research.
Organization: chenggroup
Home Page: https://wiki.cheng-group.net/ai2-kit-doc
vasp,A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization
User: cloudiiink
vasp,DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论,电子的交换关联使用广义梯度近似(GGA)下的 PBE 形式的交换关联泛函描述,使用投影缀加波赝势(PAW)描述电子与核的相互作用,计算程序为 Vienna Ab initio Simulation Package(VASP) [2-6]。
User: cndaqiang
vasp,Interatomic potential creating using DFT training data.
User: costrouc
Home Page: https://chrisostrouchov.com/dftfit
vasp,Fermi surface generation, analysis and visualisation.
Organization: fermisurfaces
Home Page: https://fermisurfaces.github.io/IFermi/
vasp,A simple way to calculate Gibbs free energy from Vasp calculations
User: ftherrien
vasp,A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
User: gabkrenzer
vasp,Python toolkit for molecular dynamics analysis
Organization: gemdat-repos
Home Page: https://gemdat.readthedocs.io
vasp,Modeling and Crystallographic Utilities
User: hungpham2017
Home Page: https://hungqpham.com/mcu/index.html
vasp,Electron Density Plotter
User: ifilot
Home Page: https://edp.imc-tue.nl/
vasp,Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
User: infant83
vasp,A code for generating irreducible site-occupancy configurations
User: jichunlian
vasp,Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
Organization: kumagai-group
Home Page: https://kumagai-group.github.io/pydefect/
vasp,VASP Integrated Supporting Environment
Organization: kumagai-group
Home Page: https://kumagai-group.github.io/vise/
vasp,atomate2 is a library of computational materials science workflows
Organization: materialsproject
Home Page: https://materialsproject.github.io/atomate2/
vasp,quick analysis of vasp calculation
Organization: matersim
Home Page: https://vasprun-xml.readthedocs.io/en/latest/index.html
vasp,Converts the VASP WAVECAR to UNK files for wannier90.
User: mturiansky
vasp,《能源环境材料计算模拟方法》学习笔记,包括linux基础命令、pbs作业管理系统、vasp、materials studio等。
User: northword
Home Page: https://northword.cn
vasp,p4vasp, the VASP Visualization Tool
User: orest-d
Home Page: http://www.p4vasp.at
vasp,Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
User: pierrehirel
Home Page: https://atomsk.univ-lille.fr
vasp,pyiron - an integrated development environment (IDE) for computational materials science.
Organization: pyiron
Home Page: http://pyiron.org
vasp,pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
Organization: pyiron
Home Page: https://pyiron-atomistics.readthedocs.io
vasp,Manipulating VASP files with Python.
User: pytlab
Home Page: https://pypi.python.org/pypi/vaspy/
vasp,An interface for ELK-Wannier90 calculations
User: rohkeaid
vasp,A Python library for electronic structure pre/post-processing
Organization: romerogroup
vasp,Unfolding the band structure of a supercell obtained with VASP
User: rubel75
vasp,ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
User: shahramyalameha
vasp,doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.
Organization: smtg-bham
Home Page: https://doped.readthedocs.io
vasp,Band structure unfolding made easy!
Organization: smtg-bham
Home Page: https://smtg-bham.github.io/easyunfold/
vasp,Defect structure-searching employing chemically-guided bond distortions
Organization: smtg-bham
Home Page: https://shakenbreak.readthedocs.io
vasp,Materials informatics framework for ab initio data repositories
Organization: tilde-lab
Home Page: https://db.tilde.pro
vasp,JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ
Organization: usnistgov
Home Page: https://pages.nist.gov/jarvis/
vasp,A wrapper for many computational codes of thermal conductivity
User: vanceeasleaf
Home Page: http://vanceeasleaf.github.io/aces/
vasp,Magnetic critical temperature Calculator
User: volkov-da
vasp,Python package to analyse electron density & electrostatic potential grids
Organization: wmd-group
Home Page: https://macrodensity.readthedocs.io
vasp,Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
User: zerothi
Home Page: https://zerothi.github.io/sisl
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.