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DSQSS (Discrete Space Quantum Systems Solver)

doc latest_stable en doc latest_stable jp doc develop doc develop jp

DSQSS (Discrete Space Quantum Systems Solver) is a software package for calculating expectation values of several observables of quantum lattice systems in finite temperature. DSQSS implements the path-integral Monte Carlo method with the directed loop algorithm.

Structure of directories

  • src
    • source codes of the main programs, DSQSS/DLA and DSQSS/PMWA
  • tool
    • utility tools (input file generators)
  • sample
    • examples of application
  • test
    • test suite
  • doc
    • document
  • config
    • configuration files used in CMake

Build and Install

prerequisite

  • C++ Compiler
  • CMake >=2.8.12
  • Python >=3.6
    • numpy
    • scipy
    • toml
    • typing_extensions (if Python < 3.8)

Simple build

rm -rf build
mkdir build
cd build
cmake ../
make

Notes

To change compiler, add -DCMAKE_CXX_COMPILER like

cmake ../ -DCMAKE_CXX_COMPILER=`which icpc`

For Intel compiler, DSQSS offers another option -DCONFIG=intel for setting compiler and adding compiler options

cmake ../ -DCONFIG=intel

You can find executable files in build/src/dla, build/tool and build/src/pmwa/.

build manual

Sphinx and sphinxcontrib-spelling are required. LaTeX is required for PDF format.

# in the build directory,
cmake -DDocument=ON ../
make doc

Testing

# in the build directory,
ctest

When some tests failed, you can check output of these tests by following:

# in the build directory,
ctest -V -R "test name"

Test names can be specified by the regular expression.

Install

The path to install is specified by -DCMAKE_INSTALL_PREFIX as the following,

# in the build directory,
cmake -DCMAKE_INSTALL_PREFIX=${INSTALL_DIR} ../
make install

After this process, executable files such as dla are installed to ${INSTALL_DIR}/bin, a configuration file dsqssvars-${DSQSS_VERSION}.sh to ${INSTALL_DIR}/share/dsqss/, sample files to ${INSTALL_DIR}/share/dsqss/dsqss-${DSQSS_VERSION}/sample, and documents (if built) to ${INSTALL_DIR}/share/dsqss/dsqss-${DSQSS_VERSION}/doc.

Example

source ${INSTALL_DIR}/share/dsqss/dsqssvars-${DSQSS_VERSION}.sh
cd sample/dla/01_spindimer
dla_pre std.toml
dla param.in
cat sample.log | grep ene

For details, see manual page.

Paper

We would appreciate if you cite the following article in your research with DSQSS, Y. Motoyama, K. Yoshimi, A. Masaki-Kato, T. Kato, and N. Kawashima, Comput. Phys. Commun. 264, 107944 (2021).

The preprint is arXiv:2007.11329.

License

License of DSQSS

DSQSS is distributed under the GNU GPL v3.

License of the bundled libs

Acknowledgement

DSQSS v1.2 and v2.0 are developed under the support of "Project for advancement of software usability in materials science" in fiscal year 2018 by The Institute for Solid State Physics, The University of Tokyo.