COSMOtherm 1702 (bugfix) released

An updates versions of COSMOtherm can now be downloaded from our servers. The new bugfix versions 1702 corrected a series of bugs responsible for deviations in the solvent screening ("Multiple Solvents") calculation. The deviations were mainly visible in the reference solvent option and if non-default weight based definitions were used.

As some bugs were causing deviating results, the usage of the fixed version 1702 is highly recommended!

Additional fixes:

  • Repaired the "Multiple Solvents" reference solubility and weight based definitions
  • Repaired logP/logD calcualtions, which did not work with non-experimental ratio of molar concentrations
  • Fixed bugs in the "New Molecule" wizard
  • Fixed bugs related to plotting in x, c and q
  • Fixed a bug in VLE/LLE
  • Fixed a bug inside the parameterization file causing erroneous densities in some IL cases and general small deviations in the density guess
  • Fixed a bug in the calculation of the numerical gradients (GRAD and H_PARTIAL options)
  • Resolved several minor issues and typos

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