Ecosyste.ms: Issues

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GitHub / mosdef-hub/forcefield-utilities issues and pull requests

#36 - Support Pydantic v1 and v2

Pull Request - State: closed - Opened by mattwthompson 11 months ago - 2 comments

#35 - Issue with "~" in forcefield path

Issue - State: open - Opened by CalCraven 12 months ago

#34 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 12 months ago - 1 comment

#33 - Load forcefield from url

Issue - State: open - Opened by daico007 about 1 year ago

#32 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago - 1 comment

#31 - Add bleeding test, drop py37 test

Pull Request - State: closed - Opened by daico007 almost 2 years ago - 1 comment

#29 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 2 years ago - 1 comment

#28 - Add functions to make forcefield-utilities functional as a backend loader

Pull Request - State: closed - Opened by CalCraven almost 2 years ago - 2 comments

#27 - Add a detailed README

Issue - State: open - Opened by umesh-timalsina almost 2 years ago

#26 - Pin gmso version to >=0.9.0. Closes #25

Pull Request - State: closed - Opened by umesh-timalsina almost 2 years ago - 1 comment

#25 - Use `GMSO` 0.9.0

Issue - State: closed - Opened by umesh-timalsina almost 2 years ago

#24 - Pin unyt for python 3.7 support

Pull Request - State: closed - Opened by umesh-timalsina almost 2 years ago - 1 comment

#23 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 2 years ago - 1 comment

#22 - copy over ff.combining_rule

Pull Request - State: closed - Opened by daico007 almost 2 years ago

#21 - Handle forcefields available at a specified path

Pull Request - State: closed - Opened by CalCraven about 2 years ago - 2 comments

#19 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 2 years ago

#18 - Codecov

Pull Request - State: closed - Opened by thomasrockhu-codecov about 2 years ago - 2 comments

#17 - Setup codecov

Issue - State: closed - Opened by umesh-timalsina about 2 years ago
Labels: good first issue

#16 - Simplify loading of XMLs. Closes #15

Pull Request - State: closed - Opened by umesh-timalsina about 2 years ago

#15 - Simplify loading of the XML Files

Issue - State: closed - Opened by umesh-timalsina about 2 years ago
Labels: bug

#14 - added per mol to bonded k-constants and reorganized them

Pull Request - State: closed - Opened by bc118 about 2 years ago

#13 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 2 years ago

#12 - Add versioning with bump2version

Pull Request - State: closed - Opened by umesh-timalsina over 2 years ago

#11 - Fix README

Pull Request - State: closed - Opened by umesh-timalsina over 2 years ago

#10 - Documentation and features for setup as conda package

Pull Request - State: closed - Opened by CalCraven over 2 years ago - 2 comments

#9 - Fix strip order in overrides

Pull Request - State: closed - Opened by umesh-timalsina over 2 years ago

#8 - Skip periodic torision test for GAFF

Pull Request - State: closed - Opened by umesh-timalsina over 2 years ago

#6 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 2 years ago

#5 - Add utilities for parsing gmso forcefields XML. Closes #4

Pull Request - State: closed - Opened by umesh-timalsina over 2 years ago - 11 comments

#4 - Add utilities for parsing gmso xml files

Issue - State: closed - Opened by umesh-timalsina over 2 years ago

#3 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 2 years ago

#2 - Set up testing using GHA. Closes #1

Pull Request - State: closed - Opened by umesh-timalsina over 2 years ago - 1 comment

#1 - Setup CI using GHA

Issue - State: closed - Opened by umesh-timalsina over 2 years ago