QuantumPackage / qp2Links
Quantum Package : a programming environment for wave function methods
☆74Updated last week
Alternatives and similar repositories for qp2
Users that are interested in qp2 are comparing it to the libraries listed below
Sorting:
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated 2 months ago
- ☆53Updated last month
- Open source stochastic quantum chemistry☆76Updated 2 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆47Updated 2 years ago
- A Python package for wave function-based quantum embedding☆34Updated last week
- ☆58Updated 2 weeks ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated 2 weeks ago
- Coupled-cluster package written in Python.☆41Updated last month
- TREX I/O library☆54Updated this week
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated 2 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- Reference implementation of GW☆13Updated 5 years ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated last year
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆57Updated 3 weeks ago
- PySCF website and documentation☆32Updated this week
- A library of density matrix embedding theory (DMET).☆36Updated 5 months ago
- ☆51Updated 3 months ago
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- ☆53Updated 10 months ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆41Updated last month
- Mathematica modules for electronic structure calculations☆34Updated last year
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 5 months ago
- A fully autodifferentiable and variational HF☆42Updated 5 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆48Updated 2 weeks ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆37Updated last month
- Quantum Monte Carlo package, TurboRVB☆29Updated 4 months ago
- adcc: Seamlessly connect your program to ADC☆36Updated last week
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- An optimized libcint branch for X86 architecture☆29Updated 2 months ago