QWalk / mainlineLinks
The mainline development distribution for QWalk
☆35Updated 5 years ago
Alternatives and similar repositories for mainline
Users that are interested in mainline are comparing it to the libraries listed below
Sorting:
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆29Updated 2 years ago
- 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
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated last month
- Reference implementation of GW☆13Updated 5 years ago
- MPI parallelization for PySCF☆34Updated 7 months ago
- A Python package for wave function-based quantum embedding☆34Updated 2 weeks ago
- Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.☆34Updated last year
- ☆24Updated 5 months ago
- Materials used in a school on QMC methods☆26Updated 5 years ago
- Coupled-cluster package written in Python.☆40Updated last month
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆46Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated 2 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 4 months ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- python module for performing blocking analysis on data containing serial correlations☆43Updated last year
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆35Updated last week
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆43Updated last week
- ERKALE -- HF/DFT from Hel☆50Updated 2 weeks ago
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 4 months ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated 11 months ago
- Python modules for electron–phonon models☆33Updated this week
- A tool for creating and manipulating tight-binding models.☆39Updated 3 months ago
- Python Based Auxiliary-Field Quantum Monte Carlo☆27Updated last year
- Quantum Package : a programming environment for wave function methods☆74Updated last month
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Updated last year
- ☆51Updated 2 months ago
- Mathematica modules for electronic structure calculations☆29Updated last year