Skip to content

v0.2.0

Latest
Compare
Choose a tag to compare
@github-actions github-actions released this 09 Sep 19:44

ExtXYZ v0.2.0

Diff since v0.1.14

Merged pull requests:

  • initial attempt at resolving problems with round-tripping isolated systems (#48) (@jameskermode)
  • Generalise system properties type check (#49) (@mfherbst)
  • Make compatible with AtomsBase 0.4.x (#51) (@cortner)

Closed issues:

  • Files with missing cell (#37)
  • Read error (#44)
  • Reading in frames from an IOBuffer (#46)
  • Saving isolated molecules to a file results a file that cannot be read (#47)
  • Update to AB0.4 (#50)