dmrghandler

Handle DMRG calculations. The running code and submit script generation code is currently here.

A usuage 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.

Installation

python -m pip install --extra-index-url=https://block-hczhai.github.io/block2-preview/pypi/ git+https://github.com/jtcantin/dmrghandler

Update 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/dmrghandler

Update 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.

Usage

• TODO

Contributing

Interested in contributing? Check out the contributing guidelines. Please note that this project is released with a Code of Conduct. By contributing to this project, you agree to abide by its terms.

License

dmrghandler was created by Joshua T. Cantin. It is licensed under the terms of the MIT license.

Credits

dmrghandler was created with cookiecutter and the py-pkgs-cookiecutter template.