This is a header-only library for diagonalizing quantum systems in a selected basis, with a focus on handling wavefunction vectors that are too large to fit in the memory of a single node.
The library leverages MPI-based parallelization to distribute the wavefunction across multiple nodes.
Sample usage examples are provided in the /samples directory.
- Tomonori Shirakawa, RIKEN Center for Computational Science
- v1.0.0 (This version is tagged as initial public release).
- Message Passing Interface (MPI)
- OpenMP
- BLAS and LAPACK
- This code is provided as a header-only llibrary, so no installation is required.
- The sample code for parallelized selected basis diagonalization is located in
sample/selected_basis_diagonalization. - Edit the configuration file to suit your environment and build it with the make command.
- For more information and options for the executable, see README.md in the same directory.
For more details on the input file formats and internal structure, see the [User Manual](generated by Doxygen). You can generate the documentation by running:
doxygen ./doc/Doxyfile
This repository contains code that is part of ongoing research and is related to a paper that has not yet been published.
The code is shared publicly for transparency and to support academic collaboration.
Please do not cite this work until the related paper is published.