molmod / hipart Goto Github PK
View Code? Open in Web Editor NEWHiPart is a program to analyze the electronic structure of molecules with fuzzy-atom partitioning methods.
License: GNU General Public License v3.0
HiPart is a program to analyze the electronic structure of molecules with fuzzy-atom partitioning methods.
License: GNU General Public License v3.0
This repository is archived. For a more up-to-date implementation, see https://github.com/theochem/denspart ----------- HiPart is a program to analyze the electronic structure of molecules with fuzzy-atom partitioning methods. It now supports four schemes to define atomic partitions: the Becke scheme, The Hirshfeld scheme, the Iterative Hirshfeld scheme, and the Iterative Stockholder Analysis. Within each scheme the following quantities can be computed: atomic charges, atomic dipoles, quality of charges and dipoles with respect to the ESP, the atomic multipole expansion, net and overlap populations, bond orders and spin charges. More information about HiPart can be found on the CMM Software website: http://molmod.ugent.be/software/
A declarative, efficient, and flexible JavaScript library for building user interfaces.
๐ 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. ๐๐๐
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 โค๏ธ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.