Fix metadynamics switchon #803
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This change will have direct impact almost on all features in CREST, needs careful downstream verification before merge. |
Signed-off-by: Susi Lehtola <[email protected]>
… of MD frame, since the latter leads to huge problems with small time steps. Signed-off-by: Susi Lehtola <[email protected]>
…behavior stays the same with the default 4 fs time step Signed-off-by: Susi Lehtola <[email protected]>
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Closes #802