Density matrix embedding theory for periodic systems
☆18Dec 3, 2021Updated 4 years ago
Alternatives and similar repositories for pDMET
Users that are interested in pDMET are comparing it to the libraries listed below
Sorting:
- A library of density matrix embedding theory (DMET).☆38Jan 26, 2025Updated last year
- DMRG and DMRGSCF☆15Mar 8, 2024Updated last year
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 8 months ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆48Oct 2, 2020Updated 5 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Jun 13, 2023Updated 2 years ago
- ☆19Jul 25, 2022Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆18Oct 5, 2019Updated 6 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆35Oct 27, 2025Updated 4 months ago
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated last year
- ☆11Mar 13, 2021Updated 4 years ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 5 years ago
- A Fortran90 program for unfolding phonon dispersions☆11Jun 12, 2020Updated 5 years ago
- ☆11Nov 10, 2020Updated 5 years ago
- Main repository for the CP-PAW code☆11Nov 4, 2025Updated 3 months ago
- DFT-D3 interface☆12Apr 3, 2023Updated 2 years ago
- Abinitio Dynamical Vertex Approximation☆15Dec 17, 2019Updated 6 years ago
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 7 months ago
- Point symmetry analysis tool for theoretical chemistry objects☆21Dec 2, 2025Updated 2 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Nov 7, 2025Updated 3 months ago
- Monte Carlo Modeling of Secondary Electron Emission using fully DFT input☆19Mar 2, 2023Updated 2 years ago
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python 2.7 vers…☆15Apr 1, 2024Updated last year
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- An exploration of the state of the art in the application of data science to quantum chemistry.☆13Dec 30, 2025Updated last month
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Nov 21, 2025Updated 3 months ago
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆14May 26, 2025Updated 9 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 2 years ago
- ☆13Jan 21, 2026Updated last month
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 8 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Feb 13, 2026Updated 2 weeks ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Sep 5, 2023Updated 2 years ago
- This package is an open-source (GPLv3) interface between QM and MM software so that QM/MM calculations can be performed with polarizable …☆16Aug 20, 2024Updated last year
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- A Wannier90 python interface for VASP and PySCF☆41Oct 21, 2025Updated 4 months ago