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:
- Open source stochastic quantum chemistry☆76Updated last month
- Reference implementation of GW☆13Updated 6 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated last month
- Quantum Package : a programming environment for wave function methods☆76Updated 3 weeks ago
- A Python package for wave function-based quantum embedding☆34Updated this week
- Materials used in a school on QMC methods☆26Updated 6 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- Repository for PseudopotentialLibrary.org website and database☆15Updated 2 weeks ago
- Coupled-cluster package written in Python.☆44Updated 3 weeks ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆35Updated last week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- ☆28Updated 7 months ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆47Updated 2 years ago
- ☆55Updated 2 months ago
- adcc: Seamlessly connect your program to ADC☆37Updated last week
- This is the official GPL repository of the yambo code☆117Updated this week
- An API for the Polarizable Continuum Model☆34Updated 2 years ago
- TREX I/O library☆58Updated this week
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- A library of density matrix embedding theory (DMET).☆36Updated 7 months ago
- Pseudopotential Studio☆20Updated 4 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆50Updated this week
- Official mirror of Quantum ESPRESSO☆49Updated 7 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 2 months ago
- Quantum Monte Carlo package, TurboRVB☆31Updated last week
- Donostia Natural Orbital Functional Software☆20Updated 8 months ago
- A modern C++ library for high-performance configuration interaction methods☆16Updated last month