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HICOLM 2.3.1

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@flavianowilliams flavianowilliams released this 21 Dec 19:29
· 332 commits to master since this release
v2.3.1
1560fb1

The new HICOLM release is available now. This release reports new appliances related to the previous release.

Bugfix

  • Improvements in the 1-4 scale factor.
  • Improvements in printing the results in the HICOLM.out file.
  • Correction in the amber module in reading amber parameters.
  • Correction of bugs in the ftir routine.
  • Improvements in the report script.
  • The HICOLM.df and HICOLM.md files were replaced by thermodynamics.csv, atoms.csv and lattice.csv.
  • Fix bugs in the writing of the XSF backup file.
  • Fix bugs in the installing script.
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