Huanchen Zhai's repositories
block2-example-data
Numerical examples for the block2 software paper.
block2-preview
Efficient parallel quantum chemistry DMRG in MPO formalism
pyscf
Python module for quantum chemistry
dmrg-soc-data
Data for ab initio Density Matrix Renormalization Group (DMRG) with Spin-Orbit Coupling (SOC)
dmrgscf
DMRG and DMRGSCF
icmpspt
MPS perturbation
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)
pt7-global-optimization-data
Atomic structures for surface supported Pt7 clusters.
py-slurmtop
Show node occupancy and job information for the SLURM job system.
pybind11
Seamless operability between C++11 and Python
pyblock3-preview
pyblock3: An Efficient python MPS/DMRG Library
pyscf-doc
pyscf-doc
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.
SIAM
Implement dynamics of a single impurity anderson model (SIAM) using td-FCI method from the PySCF package and td-DMRG method from the Pyblock3 package
x2camf
SOC integrals generator with atomic mean field approximation