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jesperschmidthansen / molsim

GNU Octave interface to seplib
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Langevin integrator #14

Closed jesperschmidthansen closed 1 year ago

jesperschmidthansen commented 1 year ago

Appears broken; does not work for propanol system.

jesperschmidthansen commented 1 year ago

Fixed. Wrong mass multiplication on the stochastic forcing term.