Beast code in Giters

Qiming Sun's repositories

NWints

nwchem-libcint

Language:Fortran4 40

bagel

Brilliantly Advanced General Electronic-structure Library

Language:C++GPL-3.03 40

cc

Code generator for Coupled Cluster theory

Language:C2 30

selectci

Language:Python100

atpyscf

Attache running pyscf process and make hot deployment

GPL-3.0030

Block

Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.

Language:CGPL-3.0000

capi_example

examples of C extension for python

Language:Python000

ctf

Cyclops Tensor Framework: distributed-memory tensor algebra

Language:C++NOASSERTION030

ctfccsd

Using CTF to parallelize CCSD and kCCSD code

Language:Python050

dask4pyscf

GPL-3.0000

ipyvolume

3d plotting for Python in the Jupyter notebook based on IPython widgets using WebGL

Language:Jupyter NotebookMIT020

local_mp2

Language:Python000

mainline

The mainline development distribution for QWalk

Language:C++GPL-2.0030

mc2champ

Language:Python000

mcscf_dmet

Language:Python000

metamcscf

Language:PythonBSD-2-Clause000

OpenFermion

OpenFermion: The Electronic Structure Package For Quantum Computers.

Language:PythonApache-2.0000

psi4-cc

python wrapper for Psi4 CC module

Language:C++NOASSERTION05 1

pydmet

dmet interface

Language:Python000

pydmrg

Python wrapper for Block code

Language:C++060

pythreejs

A Jupyter - Three.js bridge

Language:JavaScriptNOASSERTION020

spark4pyscf

Parallelize pyscf with pyspark

Language:PythonGPL-3.0000

sparse

Sparse multi-dimensional arrays for the PyData ecosystem

Language:PythonBSD-3-Clause030

spin_corr

Language:Python000

tblis

TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.

Language:CBSD-3-Clause020

travisperf

Language:Python020

wannier90

Official repository of the Wannier90 code

Language:FortranGPL-2.0030