iDEA-org / iDEALinks
interacting Dynamic Electrons Approach
☆28Updated 4 months ago
Alternatives and similar repositories for iDEA
Users that are interested in iDEA are comparing it to the libraries listed below
Sorting:
- On-the-fly generator of space-group irreducible representations☆56Updated this week
- adcc: Seamlessly connect your program to ADC☆38Updated 3 weeks ago
- SPMS table of pseudopotentials☆19Updated 2 years ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆20Updated 2 weeks ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆37Updated 2 weeks ago
- Python tools for Quantum ESPRESSO☆35Updated 2 weeks ago
- n2v: Density-to-potential Inversion Suite☆23Updated 3 years ago
- Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge☆13Updated 6 years ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆55Updated 3 weeks ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆41Updated last week
- ☆17Updated last year
- Library for Crystal Symmetry in Rust☆58Updated this week
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 8 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆21Updated last year
- Gold-Standard Chemical Database 138 (GSCDB138)☆24Updated 2 weeks ago
- Coupled-cluster package written in Python.☆46Updated last week
- Minimum-strain symmetrization of Bravais lattices☆18Updated 5 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 3 months ago
- Suite of Python scripts for Perturbo testing and postprocessing☆14Updated 3 weeks ago
- WEST code☆26Updated 2 months ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆22Updated 3 weeks ago
- ☆12Updated last year
- ☆23Updated last week
- Correlation consistent Gaussian basis sets for solids☆23Updated 4 months ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated last month
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- A Python package for wave function-based quantum embedding☆35Updated 2 weeks ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated 2 weeks ago