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:
- ☆60Updated 5 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆72Updated 4 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆33Updated last month
- A library of density matrix embedding theory (DMET).☆37Updated 10 months ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆50Updated 2 years ago
- Quantum dynamics package based on tensor network states☆62Updated 2 weeks ago
- MPI parallelization for PySCF☆34Updated last year
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆59Updated last month
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated this week
- Software package to handle the many-fermionic operator☆16Updated 12 years ago
- A Python package for wave function-based quantum embedding☆37Updated this week
- An MPO-based DMRG code for Quantum Chemistry☆13Updated 7 years ago
- ☆60Updated 4 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- ☆53Updated 3 weeks ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆84Updated last year
- Efficient parallel quantum chemistry DMRG in MPO formalism☆91Updated 2 weeks ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated 2 months ago
- Quantum Monte Carlo package, TurboRVB☆31Updated this week
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆46Updated 5 years ago
- A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaus…☆66Updated last week
- A Wick theorem kernel written in C++ and interfaced with Python☆45Updated 9 months ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆45Updated 2 months ago
- Quantum Chemistry Course @ BNU2021☆22Updated 3 years ago
- ☆55Updated last year
- Coupled-cluster package written in Python.☆46Updated last week
- Reference implementation of GW☆13Updated 6 years ago
- Python library for real space quantum Monte Carlo☆96Updated 2 weeks ago
- Quantum Package : a programming environment for wave function methods☆77Updated this week
- ☆23Updated 4 months ago