Beast code in Giters

Huanjing Gong's repositories

MoS2 test and also DFT homework

Language:Jupyter NotebookMIT2 10

Basis set optimization for correlation calculation

Language:PythonMIT1 10

This is my undergraduate scientific training with my classmates, as well as roommates.

Language:MathematicaMIT100

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

Language:C++LGPL-3.0000

Language:Python000

Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)

Language:PythonLGPL-3.0000

Correlation consistent Gaussian basis sets for solids

Language:PythonBSD-3-Clause000

🍲 好的，今天我们来做菜！OK, Let's Cook!

Language:VueMIT000

Language:PythonMIT000

Deep neural networks for density functional theory Hamiltonian.

Language:PythonMIT000

Language:C++GPL-3.0000

Language:C++GPL-3.0000

LGPL-3.0000

Machine learning for physicists

Language:Jupyter Notebook000

NequIP is a code for building E(3)-equivariant interatomic potentials

Language:PythonMIT000

Language:C++LGPL-3.0010

Repository for PseudopotentialLibrary.org website and database

000