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graeter-group / kimmdy

Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)
https://graeter-group.github.io/kimmdy/
GNU General Public License v3.0
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Rates unit #450

Open ehhartmann opened 3 weeks ago

ehhartmann commented 3 weeks ago

Currently, the reaction rates are in [ps]. This is because of the arrhenius prefactor unit. I always present the results in [s] and think this could be more intuitive. Should we change it?

jmbuhr commented 3 weeks ago

Sounds good, as long as it's documented.