Skip to content

Releases: ClapeyronThermo/GCIdentifier.jl

v0.3.6

18 Oct 03:46
Compare
Choose a tag to compare

GCIdentifier v0.3.6

Diff since v0.3.5

v0.3.5

04 Sep 22:32
9d24508
Compare
Choose a tag to compare

GCIdentifier v0.3.5

Diff since v0.3.4

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

30 Aug 03:34
8b80e71
Compare
Choose a tag to compare

GCIdentifier v0.3.4

Diff since v0.3.3

Merged pull requests:

  • forwarding variable smiles to get_expanded_groups to avoid "variable not found error" (#15) (@thomvet)

v0.3.3

21 Aug 00:28
Compare
Choose a tag to compare

GCIdentifier v0.3.3

Diff since v0.3.2

Merged pull requests:

Closed issues:

  • About ERROR: Could not find all groups (#12)

v0.3.2

10 Jun 07:37
Compare
Choose a tag to compare

GCIdentifier v0.3.2

Diff since v0.3.1

Merged pull requests:

v0.3.1

03 Apr 19:13
Compare
Choose a tag to compare

GCIdentifier v0.3.1

Diff since v0.3.0

v0.3.0

01 Apr 18:40
Compare
Choose a tag to compare

GCIdentifier v0.3.0

Diff since v0.2.0

Merged pull requests:

  • Small docstring adjustment (#8) (@moyner)
  • Fix typo and add a cross-reference in docstring (#9) (@moyner)

v0.2.0

27 Feb 01:44
Compare
Choose a tag to compare

GCIdentifier v0.2.0

Diff since v0.1.0

Merged pull requests:

v0.1.0

18 Feb 04:41
Compare
Choose a tag to compare

GCIdentifier v0.1.0

Merged pull requests: