qcscine / qcmaquis
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
☆35Updated this week
Alternatives and similar repositories for qcmaquis:
Users that are interested in qcmaquis are comparing it to the libraries listed below
- ☆48Updated 2 months ago
- A Python package for wave function-based quantum embedding☆34Updated this week
- Coupled-cluster package written in Python.☆38Updated last week
- ☆50Updated last week
- MRH's research code☆22Updated last week
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆45Updated 2 months ago
- ☆57Updated this week
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated 3 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆35Updated last year
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated last year
- ☆10Updated last month
- adcc: Seamlessly connect your program to ADC☆34Updated this week
- Correlation consistent Gaussian basis sets for solids☆23Updated 10 months ago
- TREX I/O library☆49Updated 2 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆46Updated 9 months ago
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated 9 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆13Updated this week
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- Repository for PseudopotentialLibrary.org website and database☆14Updated 8 months ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆77Updated this week
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last month
- ☆24Updated 5 months ago
- An example to implement PBC SCF☆13Updated 6 years ago
- public version of our general contraction code project☆11Updated last year
- A library of density matrix embedding theory (DMET).☆35Updated 2 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆34Updated 2 weeks ago
- Crawford's Quantum Chemistry Exercises by Python approach☆29Updated 2 years ago
- QMC=Chem version 2☆19Updated this week