| license: gpl-3.0 | |
| pretty_name: QMB Models | |
| size_categories: | |
| - 100M<n<1B | |
| # QMB Models | |
| This repository houses a collection of physical and chemical models. | |
| These models are used as data for the `qmb` package, which can be found [here][qmb-url]. | |
| This repository contains data in OpenFermion format originally sourced from [here][naqs-url] and distributed under the MIT License. | |
| To load the data in OpenFermion format, users can use the following Python code: | |
| ```python | |
| openfermion.MolecularData(filename="xxx.hdf5") | |
| ``` | |
| For additional details, please consult the [official OpenFermion documentation][openfermion-url]. | |
| This repository also includes data in FCIDUMP format, which has been compressed using gzip to reduce file size. | |
| FCIDUMP files typically contain essential information such as orbital number, electron number, and Hamiltonian data. | |
| To facilitate ease of use for upstream applications, we have named the FCIDUMP files in a structured format: `{model}_{n_electrons}_{n_qubits}.FCIDUMP.gz`. | |
| Additionally, we provide a reference energy catalog for these files in the file `FCIDUMP.yaml`. | |
| [qmb-url]: https://github.com/USTC-KnowledgeComputingLab/qmb | |
| [naqs-url]: https://github.com/tomdbar/naqs-for-quantum-chemistry | |
| [openfermion-url]: https://quantumai.google/openfermion | |