Releases: ClapeyronThermo/GCIdentifier.jl
Releases · ClapeyronThermo/GCIdentifier.jl
v0.3.6
GCIdentifier v0.3.6
v0.3.5
GCIdentifier v0.3.5
Closed issues:
- Group assignment failing for 1,3,5-trioxane and incorrect (when compared to literature) for 1,3-dioxane; also different for 2-MeTHF (#14)
v0.3.4
GCIdentifier v0.3.4
Merged pull requests:
v0.3.3
GCIdentifier v0.3.3
Merged pull requests:
- add option to allow higher order groups (#13) (@longemen3000)
Closed issues:
- About ERROR: Could not find all groups (#12)
v0.3.2
GCIdentifier v0.3.2
Merged pull requests:
- Bump julia-actions/setup-julia from 1 to 2 (#10) (@dependabot[bot])
- Bump julia-actions/cache from 1 to 2 (#11) (@dependabot[bot])
v0.3.1
GCIdentifier v0.3.1
v0.3.0
v0.2.0
GCIdentifier v0.2.0
Merged pull requests:
- Add
find_missing_groups
function (#5) (@pw0908) - remove RDKit from dependencies (#6) (@longemen3000)