SamChill / hartree-fockLinks
A simple Hartree-Fock implementation in Julia
☆14Updated 6 years ago
Alternatives and similar repositories for hartree-fock
Users that are interested in hartree-fock are comparing it to the libraries listed below
Sorting:
- Package to handle integrals over Gaussian-type atomic orbitals.☆32Updated 2 months ago
- A research-grade quantum chemistry program written in Julia☆66Updated 4 years ago
- Fast, hackable molecular integrals☆13Updated 2 years ago
- Fast and flexible nonadiabatic molecular dynamics in Julia!☆65Updated 3 weeks ago
- Libint2 interface to Julia☆14Updated 5 years ago
- Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.☆22Updated 5 years ago
- Plane wave density functional theory using Julia programming language☆122Updated last week
- Julia Library for Interatomic Potentials☆87Updated 8 months ago
- Fermi quantum chemistry program☆161Updated 6 months ago
- Julia package towards classical molecular modeling of nanoporous materials☆54Updated last year
- ☆40Updated 2 months ago
- Exploring the computational complexity of fermionic quantum systems. Electronic-structure computation and basis-set modeling.☆37Updated 3 weeks ago
- A Julia wrapper for the spglib C-API☆24Updated last week
- Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2☆21Updated 4 years ago
- Standard input/output package for AtomsBase-compatible structures☆22Updated last month
- Atomic Cluster Expansion for Modelling Invariant Atomic Properties☆22Updated 8 months ago
- A mathematical look on density-functional theory and DFTK☆34Updated 4 years ago
- ☆12Updated 5 months ago
- Extended XYZ read/write support for Julia☆17Updated last year
- Julia Bindings for Atomic Simulation Environment☆38Updated 5 years ago
- Registry for Molecular Simulation Packages☆11Updated 3 years ago
- Julia code for the computation of Wannier functions☆23Updated 7 years ago
- Julia bindings to the libxc library for exchange-correlation functionals☆23Updated last month
- Brillouin zones and paths for dispersion calculations in Julia.☆55Updated 2 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆21Updated 6 months ago
- A playground for Wannier functions☆39Updated last month
- Reference implementation of GW☆13Updated 6 years ago
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆66Updated last week
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆32Updated 6 months ago