test_morse_transition_rate (homolysis tests) fails on CI but not locally

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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Closed jmbuhr closed 1 year ago

jmbuhr commented 1 year ago

> assert all(np.isclose(k_array, k_ref))

KRiedmiller commented 1 year ago

Still fails on github, but not locally/

KRiedmiller commented 1 year ago

Could reproduce on our cluster as well! See #205