libint

Libint: high-performance library for computing Gaussian integrals in quantum mechanics

https://github.com/evaleev/libint

Science Score: 54.0%

This score indicates how likely this project is to be science-related based on various indicators:

✓
CITATION.cff file
Found CITATION.cff file
✓
codemeta.json file
Found codemeta.json file
✓
.zenodo.json file
Found .zenodo.json file
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DOI references
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Academic publication links
✓
Committers with academic emails
7 of 28 committers (25.0%) from academic institutions
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Institutional organization owner
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JOSS paper metadata
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Scientific vocabulary similarity
Low similarity (3.7%) to scientific vocabulary

Keywords from Contributors

computational-chemistry quantum-chemistry physics chemistry radiuss

Last synced: 6 months ago · JSON representation ·

Repository

Libint: high-performance library for computing Gaussian integrals in quantum mechanics

Basic Info

Host: GitHub
Owner: evaleev
License: other
Language: C++
Default Branch: master
Homepage:
Size: 61.7 MB

Statistics

Stars: 250
Watchers: 24
Forks: 100
Open Issues: 53
Releases: 47

Created over 12 years ago · Last pushed 8 months ago

Metadata Files

Readme Changelog License Citation

README.md

Libint - a library for the evaluation of molecular integrals of many-body operators over Gaussian functions

master status:
project page: http://libint.valeyev.net/
e-mail - libint@valeyev.net

See the wiki for the installation and usage instructions.

Owner

Name: Eduard Valeyev
Login: evaleev
Kind: user
Company: Virginia Tech

Website: valeevgroup.github.io
Repositories: 4
Profile: https://github.com/evaleev

hcc.ru -> UGA -> GaTech -> VaTech

Citation (CITATION)

                     CITING RESULTS PRODUCED WITH LIBINT

If you publish results using LIBINT, please cite it using:

An unmodified standard release:

Libint: A library for the evaluation of molecular integrals of many-body operators over Gaussian functions, Version X.Y.Z
Edward F. Valeev, http://libint.valeyev.net/ .

A modified release:

Libint: A library for the evaluation of molecular integrals of many-body operators over Gaussian functions, Version X.Y.Z
Edward F. Valeev, http://libint.valeyev.net/ . Modified by An Author, institution, location, year.

The literature citation for the present version in bibtex format is:

@Misc{Libint2,
  author = "E.~F.~Valeev",
  title = "Libint: A library for the evaluation of molecular integrals of many-body operators over Gaussian functions",
  howpublished = "http://libint.valeyev.net/",
  note = "version 2.10.2",
  year =         2025
}

Also, please include the scientific citations for the methods and basis
sets you use.

GitHub Events

Total

Create event: 14
Release event: 4
Issues event: 21
Watch event: 17
Delete event: 9
Issue comment event: 10
Member event: 1
Push event: 61
Pull request review comment event: 2
Pull request review event: 12
Pull request event: 25
Fork event: 4

Last Year

Create event: 14
Release event: 4
Issues event: 21
Watch event: 17
Delete event: 9
Issue comment event: 10
Member event: 1
Push event: 61
Pull request review comment event: 2
Pull request review event: 12
Pull request event: 25
Fork event: 4

Committers

Last synced: almost 3 years ago

All Time

Total Commits: 1,857
Total Committers: 28
Avg Commits per committer: 66.321
Development Distribution Score (DDS): 0.187

Past Year

Commits: 29
Committers: 5
Avg Commits per committer: 5.8
Development Distribution Score (DDS): 0.586

Top Committers

Name	Email	Commits
Eduard Valeyev	e**d@v**t	1,509
Eduard Valeyev	e**v@g**m	203
adabbott	a**t@u**u	23
Patrick Seewald	p**d@g**m	17
Eisuke Kawashima	e**m@u**m	15
drewlewis	d**0@v**u	14
justus.c79@gmail.com	j**9@g**m	10
Jonathan Dullea	j**a@g**m	9
Chong	p**0@v**u	6
fbosia	f**a@p**h	6
Ajay Panyala	a**a@g**m	5
Edward Valeev	v**6@b**r	5
Katsuhiko Nishimra	k**7@g**m	5
asadchev	a**v@g**m	3
Susi Lehtola	s**a@a**i	3
Michael F. Herbst	i**o@m**m	3
Justus Calvin	j**c@v**u	3
samslattery	4**y@u**m	3
Ondřej Čertík	o**k@g**m	2
Lori A. Burns	l**s@g**m	2
jdwhitfield	j**d@g**m	2
David Williams-Young	d**y@u**u	2
justin.fermann@gmail.com	j**n@g**m	2
Felipe S. S. Schneider	d**a@u**m	1
David Williams-Young	d**y@l**v	1
Bernhard M. Wiedemann	b**n@s**e	1
Marjory Clement	m**t@c**t	1
Soohaeng Yoo Willow	s**0@g**m	1

Committer Domains (Top 20 + Academic)

vt.edu: 3 comcast.net: 1 suse.de: 1 lbl.gov: 1 uw.edu: 1 michael-herbst.com: 1 alumni.helsinki.fi: 1 brlogin1.cluster: 1 phys.chem.ethz.ch: 1 uga.edu: 1 valeyev.net: 1

Issues and Pull Requests

Last synced: 6 months ago

All Time

Total issues: 100
Total pull requests: 125
Average time to close issues: 8 months
Average time to close pull requests: 2 months
Total issue authors: 44
Total pull request authors: 23
Average comments per issue: 2.28
Average comments per pull request: 1.4
Merged pull requests: 102
Bot issues: 0
Bot pull requests: 1

Past Year

Issues: 12
Pull requests: 26
Average time to close issues: 28 days
Average time to close pull requests: 21 days
Issue authors: 6
Pull request authors: 9
Average comments per issue: 0.08
Average comments per pull request: 0.19
Merged pull requests: 23
Bot issues: 0
Bot pull requests: 1

View more stats

Top Authors

Issue Authors

evaleev (17)
susilehtola (10)
mbanck (9)
loriab (8)
FreemanTheMaverick (8)
JensWehner (3)
HalblauterPC (2)
adabbott (2)
mboisson (2)
pmott91 (2)
ambmax00 (1)
maxscheurer (1)
JoshRackers (1)
pseewald (1)
zachcran (1)

Pull Request Authors

evaleev (46)
loriab (29)
e-kwsm (14)
kshitij-05 (8)
JonathonMisiewicz (5)
MehdiChinoune (4)
tjira (4)
susilehtola (4)
asadchev (3)
dmejiar (3)
powellsr (3)
ajaypanyala (2)
dependabot[bot] (2)
johannes-menzel (2)
parona-source (2)

Top Labels

Issue Labels

question (4) enhancement (2) bug (1) wontfix (1)

Pull Request Labels

dependencies (2)

Packages

Total packages: 3
Total downloads:
- homebrew 52 last-month

Total dependent packages: 6
(may contain duplicates)
Total dependent repositories: 1
(may contain duplicates)
Total versions: 22
Total maintainers: 2

spack.io: libint

Libint is a high-performance library for computing Gaussian integrals in quantum mechanics.

Homepage: https://github.com/evaleev/libint
License: []
Latest release: 2.11.1
published 7 months ago

Versions: 10
Dependent Packages: 3
Dependent Repositories: 0

Rankings

Dependent repos count: 0.0%

Average: 10.3%

Forks count: 11.7%

Dependent packages count: 14.2%

Stargazers count: 15.2%

Maintainers (2)

dev-zero hfp

Last synced: 7 months ago

conda-forge.org: libint

Homepage: https://github.com/evaleev/libint
License: LGPL-3.0-only
Latest release: 2.6.0
published about 6 years ago

Versions: 2
Dependent Packages: 2
Dependent Repositories: 1

Rankings

Forks count: 19.4%

Dependent packages count: 19.6%

Average: 22.8%

Dependent repos count: 24.4%

Stargazers count: 28.0%

Last synced: 7 months ago

formulae.brew.sh: libint

Library for computing electron repulsion integrals efficiently

Homepage: https://github.com/evaleev/libint
License: GPL-3.0-or-later AND LGPL-3.0-or-later
Latest release: 2.11.1
published 9 months ago

Versions: 10
Dependent Packages: 1
Dependent Repositories: 0
Downloads: 52 Last month

Rankings

Forks count: 19.0%

Dependent packages count: 19.1%

Stargazers count: 30.2%

Average: 36.6%

Dependent repos count: 52.3%

Downloads: 62.3%

Last synced: 7 months ago

Dependencies

.github/workflows/cmake.yml actions

actions/cache v1.1.0 composite
actions/checkout v2 composite
fkirc/skip-duplicate-actions v3.4.0 composite