A Lanczos based solver for generic quantum impurity models exploiting distributed memory MPI parallelisation. This software focuses on the normal case (as opposed to superconducting or spin non-conserving cases) including long range magnetic ordering and arbitrary unit cells. See j.cpc.2021.108261.
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 is available using CMake.
Clone the repo:
git clone https://github.com/aamaricci/EDIpack EDIpack
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
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
bashscript<PREFIX>/bin/edipack_configvars.sh - pkg-config file in
~/.pkg-config.d/edipack.pc
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)
python setup.py installpip install .
Method 2. has the advantage of making uninstall operation feasible.
The library is removed with the command:
make uninstall
from the same building directory as for the installation part.
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 arxiv.org/2105.06806
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