View pyscf on Snyk Open Source Advisor

Package Health Score

81 / 100

security
Security review needed
popularity
Popular
maintenance
Healthy
community
Active

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pudo
41

Popularity

Popular

GitHub Stars: 1.12K
Forks: 540
Contributors: 120

Direct Usage Popularity

Based on project statistics from the GitHub repository for the PyPI package pyscf, we found that it has been starred 1,118 times.

Security

Security review needed

Security and license risk for latest version

Release Date: Feb 5, 2024
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

Apache-2.0

Security Policy

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Maintenance

Healthy

Commit Frequency

Open Issues: 267
Open PR: 13
Last Release: 3 months ago
Last Commit: 11 days ago

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

We found that pyscf demonstrates a positive version release cadence with at least one new version released in the past 3 months.

As a healthy sign for on-going project maintenance, we found that the GitHub repository had at least 1 pull request or issue interacted with by the community.

Community

Active

Readme: Yes
Contributing.md: Yes
Code of Conduct: No
Contributors: 120
Funding: Yes

A good and healthy external contribution signal for pyscf project, which invites more than one hundred open source maintainers to collaborate on the repository.

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

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Package

Python Versions Compatibility: ==3.10.*, ==3.11.*, ==3.12.*, ==3.7.*, ==3.8.*, ==3.9.*

Age: 7 years
Latest Release: 3 months ago
Dependencies: N/A
Versions: 43
Maintainers: 1
Wheels: Linux, macOS

Not sure how to use pyscf?

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

pyscf / pyscf / pyscf / prop / ssc / dhf.py View on Github

# bar{C}_{pi}^1 ~= C_{pi}^1 - 
    if sscobj.mb.upper() == 'RMB':
        orbo = mo_coeff[:,mo_occ&gt; 0]
        orbv = mo_coeff[:,mo_occ==0]
        n4c = mo_coeff.shape[0]
        n2c = n4c // 2
        c = lib.param.LIGHT_SPEED
        orbvS_T = orbv[n2c:].conj().T
        for ia in atmlst:
            mol.set_rinv_origin(mol.atom_coord(ia))
            a01int = mol.intor('int1e_sa01sp_spinor', 3)
            for k in range(3):
                s1 = orbvS_T.dot(a01int[k].conj().T).dot(orbo[n2c:])
                mo1[ia*3+k] -= s1 * (.25/c**2)

    logger.timer(sscobj, 'solving mo1 eqn', *cput1)
    return mo1, mo_e1

View more ways to use pyscf

FAQs

What is pyscf?

PySCF: Python-based Simulations of Chemistry Framework. Visit Snyk Advisor to see a full health score report for pyscf, including popularity, security, maintenance & community analysis.

Is pyscf popular?

The python package pyscf receives a total of 24,683 weekly downloads. As such, pyscf popularity was classified as a popular. Visit the popularity section on Snyk Advisor to see the full health analysis.

Is pyscf well maintained?

We found that pyscf demonstrated a healthy version release cadence and project activity. It has a community of 120 open source contributors collaborating on the project. See the full package health analysis to learn more about the package maintenance status.

Is pyscf safe to use?

While scanning the latest version of pyscf, 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 26 April-2024, at 04:07 (UTC).

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pyscf

PySCF: Python-based Simulations of Chemistry Framework For more information about how to use this package see README

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FAQs

What is pyscf?

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Is pyscf well maintained?

Is pyscf safe to use?

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Package Health Score

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Direct Usage Popularity

Security and license risk for latest version

Commit Frequency

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Keep your project healthy

Check your requirements.txt

Snyk Vulnerability Scanner

Not sure how to use pyscf?

FAQs

What is pyscf?

Is pyscf popular?

Is pyscf well maintained?

Is pyscf safe to use?

Build a secure application checklist

Select a recommended open source package

Scan your app for vulnerabilities

Source Code

Open Source

Container

Config

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