sanshar / BlockLinks
Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
☆34Updated 2 years ago
Alternatives and similar repositories for Block
Users that are interested in Block are comparing it to the libraries listed below
Sorting:
- ☆58Updated 4 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆33Updated last week
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆71Updated 3 months ago
- A library of density matrix embedding theory (DMET).☆36Updated 9 months ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated last month
- A Wick theorem kernel written in C++ and interfaced with Python☆45Updated 9 months ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆49Updated 2 years ago
- A Python package for wave function-based quantum embedding☆35Updated 3 weeks ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆43Updated 5 years ago
- Software package to handle the many-fermionic operator☆16Updated 12 years ago
- Reference implementation of GW☆13Updated 6 years ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆89Updated last week
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆44Updated last month
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆57Updated 2 weeks ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆83Updated last year
- ☆59Updated 4 months ago
- ComDMFT is an ab initio code for simulating correlated quantum materials with crystalline symmetry. It combines the LQSGW code's DFT or …☆35Updated last year
- ☆51Updated 2 months ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 5 months ago
- MRH's research code☆25Updated this week
- Files for QMC Workshop 2021☆58Updated 3 years ago
- Coupled-cluster package written in Python.☆46Updated last week
- Quantum dynamics package based on tensor network states☆62Updated last week
- Python library for real space quantum Monte Carlo☆95Updated this week
- MPI parallelization for PySCF☆34Updated last year
- Quantum Package : a programming environment for wave function methods☆77Updated this week
- ☆55Updated last year
- Open source stochastic quantum chemistry☆76Updated last week