computative / block
☆9Updated 2 years ago
Alternatives and similar repositories for block:
Users that are interested in block are comparing it to the libraries listed below
- A playground for Wannier functions☆36Updated 3 weeks ago
- Julia code for the computation of Wannier functions☆22Updated 6 years ago
- Plane wave density functional theory using Julia programming language☆117Updated last month
- Fast and flexible nonadiabatic molecular dynamics in Julia!☆62Updated 3 weeks ago
- ☆38Updated 2 weeks ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆45Updated last year
- Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.☆20Updated 4 years ago
- interacting Dynamic Electrons Approach☆27Updated 8 months ago
- This repository contains several sets of many-body codes developed by Morten Hjorth-Jensen and collaborators. The codes follow the GNU G…☆33Updated 2 years ago
- Open source stochastic quantum chemistry☆74Updated 2 months ago
- Brillouin zones and paths for dispersion calculations in Julia.☆51Updated last month
- KITE Quantum Transport Software☆28Updated last year
- Interface to DFT codes☆40Updated 3 weeks ago
- A Julia package for calculating irreducible Brillouin zones for 2D or 3D crystal structures.☆35Updated last year
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆33Updated this week
- Library for discrete Lehmann representation of imaginary time Green's functions☆21Updated 4 months ago
- A Python package to generate and evaluate many-body diagrams☆17Updated last year
- Numerically exact Green's functions for lattice polaron models, easily and efficiently☆11Updated 3 months ago
- Libint2 interface to Julia☆13Updated 4 years ago
- python module for performing blocking analysis on data containing serial correlations☆40Updated last year
- A mathematical look on density-functional theory and DFTK☆34Updated 3 years ago
- A Julia wrapper for the spglib C-API☆24Updated 2 weeks ago
- Electronic structure calculations using Julia☆14Updated 3 years ago
- Add-on package to ITensors.jl for chemistry.☆21Updated 5 months ago
- GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.☆16Updated 3 weeks ago
- Hartree-Fock-Bogoliubov solver for a generic interacting fermion Hamiltonian☆16Updated 4 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆46Updated 9 months ago
- A collection of basic routines for Molecular Dynamics simulations implemented in Julia☆12Updated 4 months ago
- A quasi Monte Carlo inchworm impurity solver for multi-orbital models☆16Updated 2 months ago
- Exact diagonalization solver for quantum electron models☆24Updated last year