T81-2023 Notification regarding BIOVIA COSMOtherm 2024

SOLCHEM-1005

Significant speed-up of COSMOplex and COSMOperm calculations by an activated

multiple core parallelization

SOLCHEM-1206

The default fonts and font sizes of the Solvation Chemistry application UIs was changed for better readability if scaling of the display is used.

SOLCHEM-1290

The COSMOtherm program did not allow for filenames with special characters "#" or "@". This is enabled now if filenames are given in quotes. E.g. read cosmo-files f =

"nam#_c0.cosmo" or f = "n@me_c0.cosmo" will work now.

SOLCHEM-1306

Some dialogs opened on another screen when working with external displays. This behavior has been fixed.

SOLCHEM-1534

In a COSMOtherm BINARY isobaric LLE calculation, now the optimized isobaric

temperature is printed into the LLE results table header instead of the isobaric pressure. This was changed in order to align the tabulated LLE results with TERNARY and MULTINARY isobaric LLE computations.

SOLCHEM-1418

In COSMOthermX it was possible to close the main COSMOthermX UI by closing the progress message "Build compound list". In the COSMObaseEditor it was possible to close the main COSMObaseEditor UI by closing the progress message window while exporting a COSMObase to a CDB file. This inconsistent behavior was fixed. Closing of progress message window does not close the main UI window any more..

SOLCHEM-1546

The TERNARY LLE table in very rare cases was sorted in a way that x' and x'' values were mixed up. This issue is corrected now. It only happened for points where the

end point of the LLE is binary with the first component of ternary has zero concentration. Thus a workaround was available, simply interchanging the compound

phases.

SOLCHEM-1651

In COSMOtherm solubility screening, a reference solubility given in mass fractions (options ref_sol_c=value, ref_sol_gg=value) has created an ambiguous error message if the given input value was out of the allowed range of 0 < value < 1. This problem is fixed now, the error message that occurs in this case now refers to value out of bound.