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openforcefield
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openff-forcefields
Force fields produced by the Open Force Field Initiative
Creative Commons Attribution 4.0 International
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Bump codecov/codecov-action from 4 to 5
#118
dependabot[bot]
opened
1 week ago
1
Add fitting repos to readme
#117
amcisaac
closed
2 weeks ago
3
[pre-commit.ci] pre-commit autoupdate
#116
pre-commit-ci[bot]
opened
1 month ago
1
Bump mamba-org/setup-micromamba from 1 to 2
#115
dependabot[bot]
closed
1 month ago
1
Update canary script, automation
#114
mattwthompson
closed
2 months ago
1
Add 2.2.1
#113
lilyminium
closed
2 months ago
12
Add PR templates
#112
lilyminium
closed
2 months ago
3
Add Irfan Alibay to authors
#111
lilyminium
closed
4 months ago
1
Remove conda call in micromamba environment
#110
lilyminium
closed
4 months ago
2
Add 2.2.1-rc1
#109
lilyminium
closed
4 months ago
2
[pre-commit.ci] pre-commit autoupdate
#108
pre-commit-ci[bot]
closed
4 months ago
1
Update README.md
#107
amcisaac
closed
7 months ago
0
Sage 2.2.0 full release
#106
amcisaac
closed
7 months ago
1
Drop Python 3.9
#105
mattwthompson
closed
7 months ago
1
[pre-commit.ci] pre-commit autoupdate
#104
pre-commit-ci[bot]
closed
7 months ago
0
[pre-commit.ci] pre-commit autoupdate
#103
pre-commit-ci[bot]
closed
8 months ago
0
Sage 2.2.0 rc1
#102
amcisaac
closed
8 months ago
4
docs: fixed broken markdown link for entry points
#101
ethanholz
closed
9 months ago
0
[pre-commit.ci] pre-commit autoupdate
#100
pre-commit-ci[bot]
closed
9 months ago
0
[pre-commit.ci] pre-commit autoupdate
#99
pre-commit-ci[bot]
closed
9 months ago
0
Bump codecov/codecov-action from 3 to 4
#98
dependabot[bot]
closed
10 months ago
0
[pre-commit.ci] pre-commit autoupdate
#97
pre-commit-ci[bot]
closed
10 months ago
1
[pre-commit.ci] pre-commit autoupdate
#96
pre-commit-ci[bot]
closed
10 months ago
0
2024.01.0 releaseprep
#95
j-wags
closed
10 months ago
0
Added Xe VDW parameters from existing paper to Sage 2.1.0
#94
amcisaac
closed
10 months ago
8
Do not yet enforce EOF consistency
#93
mattwthompson
closed
1 year ago
1
Update virtual site-related tests
#92
mattwthompson
closed
1 year ago
1
Update versioneer setup
#91
mattwthompson
closed
1 year ago
2
Remove more uses of `pkg_resources`
#90
mattwthompson
closed
1 year ago
1
Uniformly lint
#89
mattwthompson
closed
1 year ago
2
Update `setup.py`
#88
mattwthompson
closed
1 year ago
1
Test virtual site weights in water models
#87
mattwthompson
closed
1 year ago
1
Test virtual site geometry in water models
#86
mattwthompson
closed
1 year ago
0
Add TIP5P
#85
mattwthompson
closed
1 year ago
1
Update CI, automation, linting
#84
mattwthompson
closed
1 year ago
1
Add TIP5P
#83
mattwthompson
closed
1 year ago
1
Revert "Bump codecov/codecov-action from 3 to 4"
#82
j-wags
closed
1 year ago
1
Bump codecov/codecov-action from 3 to 4
#81
dependabot[bot]
closed
1 year ago
0
Bump actions/checkout from 3 to 4
#80
dependabot[bot]
closed
1 year ago
0
Remove use of `pkg_resources`
#78
mattwthompson
closed
1 year ago
0
Use vdWHandler 0.4 in water models and scripts
#77
mattwthompson
closed
1 year ago
2
Add TIP4P-EW
#76
mattwthompson
closed
1 year ago
2
Add SPC/E
#75
mattwthompson
closed
1 year ago
3
Add SPC/E
#74
mattwthompson
closed
1 year ago
0
Add TIP4P-EW
#73
mattwthompson
closed
1 year ago
0
Inclusion of atoms relevant for electrolyte design.
#72
CompRhys
opened
1 year ago
5
Add Sage citation
#71
mattwthompson
closed
1 year ago
2
Switch to `setup-micromamba`
#70
mattwthompson
closed
1 year ago
1
OPC3, TIP4P-FB, and ions for TIP3P-FB
#69
chapincavender
closed
1 year ago
1
Skip sigma comparion when epsilons are both zero
#68
mattwthompson
closed
1 year ago
1
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