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A suitable extension ofEDIpack: a Lanczos based methodfor the solution of generic Quantum Impurity problems, exploiting distributed memory MPI parallelization.This updated version, aims to solve single-site, multi-orbital models, in eithernormal,superconducting (s-wave) orSpin-non-conserving (e.g. with Spin-Orbit Coupling or in-plane magnetization) phases, including electron-phonons coupling. The code works at zero and low temperatures.
Seej.cpc.2021.108261 for further information about the underlying algorithms. Yet, suitable modifications have been developed to address the Superconducting and non-SU(2) channels.
The code is based on:
SciFortranhttps://github.com/QcmPlab/SciFortran
MPI
Installation is available using CMake. In the current version API are only provided in Fortran. In a future release Python and C/C++ API will be included.
The software gives acces to the static librarylibedipack2.a
and the related modulesEDIPACK2
Clone the repo:
git clone https://github.com/QcmPlab/EDIpack2.0 EDIpack2
And from the repository directory (cd EDIpack2
) make a standard out-of-source CMake compilation:
mkdir build
cd build
cmake ..
make
make install
make post-install
Please follow the instructions on the screen to complete installation on your environment.
The library can be loaded using one of the following, automatically generated, files :
- pkg-config file in
~/.pkg-config.d/EDIpack2.pc
- environment module file
~/.modules.d/EDIpack2/<PLAT>
- homebrew
bash
script<PREFIX>/bin/configvars.sh
TheCMake
compilation can be controlled using the following additional variables, default values between< >
:
-DPREFIX=prefix directory <~/opt/EDIpack2/VERSION/PLAT/[GIT_BRANCH]>
-DUSE_MPI=<yes>/no
-DVERBOSE=yes/<no>
-DBUILD_TYPE=<RELEASE>/TESTING/DEBUG
--
LICENSE
Copyright 2020- (C) Adriano Amaricci, Lorenzo Crippa, Alberto Scazzola, Gabriele Bellomia, Samuele Giuli, Giacomo Mazza, Francesco Petocchi, Luca de Medici and Massimo Capone
The software is provided with no license, as such it is protected by copyright.The software is provided as it is and can be read and copied, in agreement withthe Terms of Service of GITHUB. Use of the code is constrained to author agreement.
This program is distributed in the hope that it will be useful,but WITHOUT ANY WARRANTY; without even the implied warranty ofMERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See theGNU General Public License for more details.
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Massively parallel Exact Diagonalization for generic Quantum Impurity problems
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