A wrapper for the DMRG code Block2 (Repository, paper) to facilitate preparing DMRG calculations, processing the results, and running on the Niagara Compute Canada cluster.
python -m pip install --extra-index-url=https://block-hczhai.github.io/block2-preview/pypi/ git+https://github.com/jtcantin/dmrghandlerUpdate with reinstallation of dependencies (recommended whenever pyproject.toml has changed):
python -m pip install --extra-index-url=https://block-hczhai.github.io/block2-preview/pypi/ --force-reinstall git+https://github.com/jtcantin/dmrghandlerUpdate without reinstallation of dependencies:
python -m pip install --extra-index-url=https://block-hczhai.github.io/block2-preview/pypi/ --force-reinstall --no-deps git+https://github.com/jtcantin/dmrghandler--extra-index-url=https://block-hczhai.github.io/block2-preview/pypi/ is included so that a release candidate version of Block2 can be used.
A usage example for the Niagara cluster is examples/example_niagara_prepare_calcs_gsee_benchmark_coarse_set.py. After this is run, configuration files and submit commands are generated.
A usage example for running locally can be found as part of qb-gsee-benchmark: run_dmrg.ipynb
dmrghandler was created by Joshua T. Cantin. It is licensed under the terms of the MIT license.
dmrghandler was created with cookiecutter and the py-pkgs-cookiecutter template.