Ecosyste.ms: Issues

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GitHub / t-young31/opt-rs issues and pull requests

#16 - Fix publish

Pull Request - State: closed - Opened by t-young31 over 1 year ago

#15 - Fix CI

Pull Request - State: closed - Opened by t-young31 over 1 year ago

#14 - Create proc_macro for `Eq`,`Hash`,`PartialEq` generation

Issue - State: open - Opened by t-young31 over 1 year ago

#13 - Lint

Pull Request - State: closed - Opened by t-young31 over 1 year ago - 2 comments

#12 - Packaging

Pull Request - State: closed - Opened by t-young31 over 2 years ago - 1 comment

#11 - Fix oxygen typing

Pull Request - State: closed - Opened by t-young31 over 2 years ago - 2 comments

#10 - Angle potentials

Issue - State: closed - Opened by t-young31 over 2 years ago

#9 - Python bindings

Pull Request - State: closed - Opened by t-young31 over 2 years ago - 2 comments

#8 - Topology improvements

Pull Request - State: closed - Opened by t-young31 over 2 years ago - 2 comments

#7 - Aromatics classification

Pull Request - State: closed - Opened by t-young31 almost 3 years ago - 2 comments

#6 - Optimiser

Pull Request - State: closed - Opened by t-young31 almost 3 years ago - 2 comments

#5 - Add vdw non bonded

Pull Request - State: closed - Opened by t-young31 almost 3 years ago - 2 comments

#4 - Add inversion centres

Pull Request - State: closed - Opened by t-young31 almost 3 years ago - 2 comments

#3 - Add dihedrals

Pull Request - State: closed - Opened by t-young31 almost 3 years ago - 2 comments

#2 - Angle terms

Pull Request - State: closed - Opened by t-young31 almost 3 years ago - 2 comments

#1 - Add method to determine if an atom is a d8 atom

Pull Request - State: closed - Opened by t-young31 almost 3 years ago - 1 comment