Wentzell / pomerol

Exact diagonalization, Lehmann's representation, Two-particle Green's functions

pomerol is an exact diagonalization (full-ED) code written in C++ aimed at solving condensed matter second-quantized models of interacting fermions on finite size lattices at finite temperatures. It is designed to produce single and two-particle Greens functions.

Features

• High performance exact calculation of a Green's function and a two-particle Green's function in Matsubara domain.
• Written in C++: iterators are used to avoid zero matrix elements and vanishing combinations.
• Symmetry analysis. The commutation relations between operators are taken into account.
• Fermionic operators algebra to diagonalize any fermionic Hamiltonian.
• Eigen3 template library for linear algebra is used (mostly its Sparse module).
• MPI + OpenMP support.
• CMake is used for the installation.

Source installation

Check the dependencies: c++ compiler, CMake, Eigen3, Boost (with Boost::mpi and serialization), mpi and git to fetch the sources. boost::program_options is required for building executables.

• Checkout the latest sources git clone https://github.com/aeantipov/pomerol.git
• Create a (temporary) build directory.
• In this build directory run cmake <path_to_pomerol> -DCMAKE_BUILD_TYPE=Release -DCMAKE_INSTALL_PREFIX=<path>
  • add -DTesting=ON for compiling tests. Default = ON.
  • add -DProgs=ON for compiling provided binaries (from progs directory). These include a diagonalization of the Anderson impurity. Default = OFF.
    • boost::program_options is then required.
    • The flag -DCXX11=ON compiles the C++11-version of the anderson executable with gftools support for operations with Green's functions and vertices. The latter supports direct hdf5-saving through ALPSCore.
  • add -DPOMEROL_COMPLEX_MATRIX_ELEMENTS=ON for allowing complex matrix elements in the Hamiltonian. Default = OFF.
  • add -DPOMEROL_USE_OPENMP=ON to enable OpenMP optimization for two-particle GF calculation. Default = ON.
  • add -DPOMEROL_BUILD_STATIC=ON to compile static instead of shared libraries.
• make
• make test (if tests are compiled)
• make install
  • Shared library libpomerol will be in <path>/lib.
• make doc generates the documentation in the doc subfolder.

Interfacing with your own code and other libraries

Check the tutorial dir for an example of a pomerol-related code that is linked to external libraries.

Documentation

Check http://pomerol.sourceforge.net or type make doc during compilation stage for the reference documentation.

The library, libpomerol is built. It then can be used to linking with executables. The example of the latter is given in example section and some working executables are given in prog subdirectory. Documentation can be compiled with a make doc command.

License

The software is released under GPLv2 license.

Academic usage : please attribute this work by a citation to http://dx.doi.org/10.5281/zenodo.17900.

Authors

• Andrey Antipov <Andrey.E.Antipov\at\gmail.com>
• Igor Krivenko <igor.s.krivenko\at\gmail.com>

Development/Help

Please feel free to contact and contribute!