QuantumPackage / qp2
Quantum Package : a programming environment for wave function methods
☆74Updated this week
Alternatives and similar repositories for qp2:
Users that are interested in qp2 are comparing it to the libraries listed below
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated 10 months ago
- ☆48Updated 2 months ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆45Updated last year
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆46Updated 9 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated 3 years ago
- Open source stochastic quantum chemistry☆74Updated 3 months ago
- TREX I/O library☆49Updated 3 months ago
- A Python package for wave function-based quantum embedding☆34Updated last week
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆48Updated this week
- ☆57Updated this week
- Coupled-cluster package written in Python.☆38Updated 3 weeks ago
- ☆50Updated 3 weeks ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆42Updated 3 weeks ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆35Updated 2 weeks ago
- Finite element methods for electronic structure calculations on small systems☆36Updated 3 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated last year
- Advanced tool for Wannier interpolation and integration of k-space integrals☆99Updated 2 weeks ago
- adcc: Seamlessly connect your program to ADC☆35Updated this week
- This is the official GPL repository of the yambo code☆107Updated this week
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆58Updated 2 weeks ago
- A Wick theorem kernel written in C++ and interfaced with Python☆45Updated 2 months ago
- Python modules for electron–phonon models☆32Updated 2 weeks 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
- Many-body dispersion library☆54Updated 6 months ago
- A library of density matrix embedding theory (DMET).☆35Updated 2 months ago
- ERKALE -- HF/DFT from Hel☆49Updated 3 weeks ago
- PySCF website and documentation☆28Updated this week
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- Quantum Monte Carlo package, TurboRVB☆30Updated last month
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆58Updated 2 months ago