EDIpack1.0: A parallel Exact Diagonalization solver for Quantum Impurity problems

This is the version 1.0 of EDIpack. A largely updated version can be found here with version 2.0: EDIpack

The old version A Lanczos based solver for generic quantum impurity models exploiting distributed memory MPI parallelisation. This software focuses on the solution in presence of $SU(2)$ or just $U(1)$-spin symmetry, thus including long range magnetic ordering and also arbitrary unit cells. The code is presented here j.cpc.2021.108261.

Dependencies

The code is written around the SciFortran library. Dependencies are:

• gfortran > 9.0.0 OR ifort > 13.0
• cmake > 3.0.0
• MPI
• SciFortran

Installation

Installation is available using CMake.

Clone the repo:

git clone https://github.com/EDIpack/EDIpack1.0 EDIpack1.0

and from the just created directory make a standard out-of-source CMake compilation:

mkdir build
cd build
cmake ..
make
make install

The CMake compilation can be controlled using the following additional variables, default values between < >:

• -DPREFIX=prefix directory <~/opt/edipack/>
• -DUSE_MPI=<yes>/no
• -DVERBOSE=yes/<no>
• -DBUILD_TYPE=<RELEASE>/TESTING/DEBUG

System loading:

The library can be loaded into the operative system using one of the following, automatically generated, methods:

• environment module file ~/.modules.d/edipack/<PLAT>/<VERSION>
• homebrew bash script <PREFIX>/bin/edipack_configvars.sh
• pkg-config file in ~/.pkg-config.d/edipack.pc

Python binding

Python binding (API) through module edipy can be installed, once the library is successfully loaded in the OS, using the conventional toolchain:

export F90=mpif90 (required if library has been compiled and installed with MPI support)

pip install .

Uninstall

The library is removed with the command:

make uninstall

from the same building directory as for the installation part.

CREDITS

Using this code or any derivate of it please consider to cite the corresponding article j.cpc.2021.108261

For any information contact the author as:
adriano DOT amaricci @ gmail DOT com

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COPYRIGHT & LICENSING
Copyright (c), Adriano Amaricci, Lorenzo Crippa, Alberto Scazzola, Francesco Petocchi, Giacomo Mazza, Luca de Medici, Massimo Capone.
All rights reserved.

This program is free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License (LGPL) as published by the Free Software Foundation, either version 3 of the License, or any later version.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU LGPL for more details.

You should have received a copy of the GNU LGPL along with this program. If not, see http://www.gnu.org/licenses/.

Using this code please consider to cite the corresponding article j.cpc.2021.108261

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