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1.3.1

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@emarinri emarinri released this 19 Mar 17:56
· 2 commits to master since this release

This release contains bug fixes.

Full Changelog: v1.3.0...v1.3.1

Bug fixes

  • #125 Add error for converting non-numeric strings to numbers. Author @rwsmith7531 in

  • #129 Fix GEMC examples and prevent log volume moves. The diethylether and isobutane GEMC examples had an extra line after the maximum volume move parameter. This would trigger an error due to code that would look at this line as a flag to activate volume moves in log space. Since log space volume moves were implemented too long ago, and the
    code has changed since then, an error is thrown if the execution reaches
    tihs point. Most of the log volume move code looks good, but it has not been tested yet. Author @emarinri

  • #135 Update CI. Author: @emarinri in

  • #134 Fix CBMC dihedral selection. Previously, the CBMC Fragment_Placement subroutine would sometimes choose a dihedral trial with trial overlap despite its weight being zero. This was fixed by changing the "<=" operator to "<" and flagging cbmc_overlap if none of the trials are picked. Author @rwsmith7531

  • #145 Upgrade gcc and gfortran versions used for Azure Pipelines CI runs. Author @rwsmith7531

  • #90 Allow dashes in file names. Author @rwsmith7531