qcscine / qcmaquis
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
☆33Updated this week
Related projects ⓘ
Alternatives and complementary repositories for qcmaquis
- MRH's research code☆19Updated this week
- ☆52Updated this week
- ☆44Updated 3 months ago
- A Python package for wave function-based quantum embedding☆33Updated last month
- Coupled-cluster package written in Python.☆27Updated last week
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- Quantum Chemistry Course @ BNU2021☆21Updated 2 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆79Updated 5 months ago
- TREX I/O library☆49Updated this week
- ☆45Updated this week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆43Updated 5 months ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆44Updated last year
- ☆9Updated last week
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated last week
- An example to implement PBC SCF☆12Updated 6 years ago
- Correlation consistent Gaussian basis sets for solids☆22Updated 6 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆33Updated last year
- A Wick theorem kernel written in C++ and interfaced with Python☆40Updated 2 months ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- A library of density matrix embedding theory (DMET).☆31Updated last week
- adcc: Seamlessly connect your program to ADC☆32Updated this week
- Repository for PseudopotentialLibrary.org website and database☆14Updated 4 months ago
- GMTKN test sets in python☆10Updated 2 years ago
- Hartree-Fock Python☆17Updated last year
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last week
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated 2 years ago
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆39Updated 6 months ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆16Updated 3 years ago