DCore
issp-center-dev / DCore
Integrated package for model and ab initio calculations with dynamical mean-field theory (DMFT)
Overview
DMFT software for CORrelated Electrons
Typical use cases
- Obtain spectral functions of strongly correlated electron systems with DMFT
- Run DMFT calculations combined with first-principles calculations
Quick Start
This software provides a Quickstart / tutorial.
README
DCore
DCore is aimed at model calculations and ab-initio calculations by the dynamical mean-field theory (DMFT). This package consists of programs with text-based and hdf5-based interface. These programs enable users to perform DMFT calculations and analyze results without writing computer code. ALPS and TRIQS impurity solvers are supported.
Install
> pip3 install dcore
Documentation
https://issp-center-dev.github.io/DCore/index.html
See the the link above for documentations including installation, tutorial, reference manual, and FAQ/Troubleshooting.
Related paper
Technical details are described in the following paper:
- "DCore: Integrated DMFT software for correlated electrons",
H. Shinaoka, J. Otsuki, M. Kawamura, N. Takemori, K. Yoshimi,
SciPost Phys. 10, 117 (2021)
Run tests (only for developers)
> pytest tests/non-mpi/*/*.py
> mpirun -np 2 pytest tests/mpi/*/*.py
Source: https://github.com/issp-center-dev/DCore README
Richness
Richness = how many of docs / examples / tests are in place, shown as 0–3 stars (1 star = 1 item; the checklist below is the breakdown). Software listed by hand (without repository data) is not assessed and is left out when filtering by a richness of 1 or more.
- Yes: README
- Yes: LICENSE
- Yes: docs
- Yes: examples
- Yes: tests
- Yes: CITATION
- Yes: release
Information
- Primary language
- Python
- Languages
- Python, TeX, Dockerfile, Shell
- License
- GPL-3.0
- Provider
- github
- DOI
- 10.21468/SciPostPhys.10.5.117
- Documentation
- https://www.pasums.issp.u-tokyo.ac.jp/dcore/