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chemREACT / REACT

Development of a GUI for setting up and analysing DFT reaction (free) energies.
GNU General Public License v3.0
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Solvation option in Calculation setup ? #39

Closed isaksengeir closed 2 years ago

isaksengeir commented 2 years ago

Solvation option in Calculation setup ?

Problem

There no options to select solvation, solvation model and dielectric constant in the calculation setup?

Suggested solution

Yes we do need this

The we implement this somehow similar to Frequencies

No, we do not care about this

The show goes on

@benteb ?

isaksengeir commented 2 years ago

@benteb if anything, I would prioritise this one.

benteb commented 2 years ago

Done and done