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v0.4.8

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@github-actions github-actions released this 20 Jan 17:25
4b61e3a

BiochemicalAlgorithms v0.4.8

Diff since v0.4.7

Merged pull requests:

  • FF: use the ForceField float type for parameter file reading (#165) (@tkemmer)
  • FF: read 1-4 ES scaling factor from parameter file (#167) (@tkemmer)
  • Backports v0.4.8 (#166) (@tkemmer)

Closed issues:

  • FF: Amber ignores force field-specific 1-4 scaling from params file (#163)
  • FF: AmberFF() always reads parameter file assuming Float32 as float type (#164)