View pyqmc on Snyk Open Source Advisor

Package Health Score

43 / 100

security
Security review needed
popularity
Limited
maintenance
Inactive
community
Sustainable

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Popularity

Limited

GitHub Stars: 83
Forks: 33
Contributors: 20

Direct Usage Popularity

Based on project statistics from the GitHub repository for the PyPI package pyqmc, we found that it has been starred 83 times.

Security

Security review needed

Security and license risk for latest version

Release Date: May 17, 2023
Direct Vulnerabilities: 0
C
0
H
0
M
0
L
Indirect Vulnerabilities: 0
C
0
H
0
M
0
L
License Risk: 0
H
0
M
0
L

All security vulnerabilities belong to production dependencies of direct and indirect packages.

License

MIT

Security Policy

We found a way for you to contribute to the project! Looks like pyqmc is missing a security policy.

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Maintenance

Inactive

Commit Frequency

Open Issues: 10
Open PR: 1
Last Release: 2 years ago
Last Commit: 3 months ago

Further analysis of the maintenance status of pyqmc based on released PyPI versions cadence, the repository activity, and other data points determined that its maintenance is Inactive.

An important project maintenance signal to consider for pyqmc is that it hasn't seen any new versions released to PyPI in the past 12 months, and could be considered as a discontinued project, or that which receives low attention from its maintainers.

In the past month we didn't find any pull request activity or change in issues status has been detected for the GitHub repository.

Community

Sustainable

Readme: Yes
Contributing.md: No
Code of Conduct: No
Contributors: 20
Funding: No

With more than 10 contributors for the pyqmc repository, this is possibly a sign for a growing and inviting community.

We found a way for you to contribute to the project! Looks like pyqmc is missing a Code of Conduct.

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Package

Python Versions Compatibility: Unspecified

Age: 5 years
Latest Release: 2 years ago
Dependencies: 4 Direct / 9 Total
Versions: 11
Maintainers: 1
Wheels: OS Independent

Not sure how to use pyqmc?

To help you get started, we've collected the most common ways that pyqmc is being used within popular public projects.

WagnerGroup / pyqmc / tests / unit / test_accumulators.py View on Github

from pyqmc.supercell import get_supercell

    mol = gto.Cell(atom="He 0.00 0.00 0.00", basis="ccpvdz", unit="B")
    mol.a = 5.61 * np.eye(3)
    mol.build()

    mf = scf.KRHF(mol, kpts=mol.make_kpts([2, 2, 2])).density_fit()
    ehf = mf.kernel()

    supercell = get_supercell(mol, 2 * np.eye(3))
    kinds = [0, 1]
    dm_orbs = [mf.mo_coeff[i][:, :2] for i in kinds]
    wf, to_opt = pyqmc.default_sj(mol, mf)
    accumulators = {
        "pgrad": pyqmc.gradient_generator(mol, wf, to_opt, ewald_gmax=10),
        "obdm": OBDMAccumulator(mol, dm_orbs, kpts=mf.kpts[kinds]),
        "Sq": pyqmc.accumulators.SqAccumulator(mol.lattice_vectors()),
    }
    info_functions(mol, wf, accumulators)

View more ways to use pyqmc

pyqmc dependencies

h5py pandas pyscf scipy

FAQs

What is pyqmc?

Python library for real space quantum Monte Carlo. Visit Snyk Advisor to see a full health score report for pyqmc, including popularity, security, maintenance & community analysis.

Is pyqmc popular?

The python package pyqmc receives a total of 121 weekly downloads. As such, pyqmc popularity was classified as limited. Visit the popularity section on Snyk Advisor to see the full health analysis.

Is pyqmc well maintained?

We found indications that pyqmc is an Inactive project. See the full package health analysis to learn more about the package maintenance status.

Is pyqmc safe to use?

While scanning the latest version of pyqmc, we found that a security review is needed. A total of 0 vulnerabilities or license issues were detected. See the full security scan results.

Last updated on 21 November-2024, at 13:57 (UTC).

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pyqmc

Python library for real space quantum Monte Carlo For more information about how to use this package see README

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