Huanchen Zhai's repositories
block2-preview
Efficient parallel quantum chemistry DMRG in MPO formalism
py-slurmtop
Show node occupancy and job information for the SLURM job system.
dmrgscf
DMRG and DMRGSCF
pyblock3-preview
pyblock3: An Efficient python MPS/DMRG Library
pybind11
Seamless operability between C++11 and Python
block2-example-data
Numerical examples for the block2 software paper.
libcint
general GTO integrals for quantum chemistry
OpenMolcas
A copy of OpenMolcas with an interface to Dice (Heat-bath CI), Block (DMRG), and CheMPS2 (DMRG)
pyscf
Python module for quantum chemistry
quimb
A python library for quantum information and many-body calculations including tensor networks.
setup-test
Test for python setup.py for pure C++ projects.
dmrg-soc-data
Data for ab initio Density Matrix Renormalization Group (DMRG) with Spin-Orbit Coupling (SOC)
x2camf
SOC integrals generator with atomic mean field approximation
icmpspt
MPS perturbation
pyscf-doc
pyscf-doc
pt7-global-optimization-data
Atomic structures for surface supported Pt7 clusters.