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All Projects → issp-center-dev → DCore

issp-center-dev / DCore

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DMFT software for CORrelated Electrons

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Build Status

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
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