IRC_VNORM0

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Revision as of 10:35, 6 November 2023 by Tbucko (talk | contribs)

IRC_VNORM0 = real
Default: IRC_VNORM0 = 0.002 

Description: in the damped velocity Verlet algorithm for the IRC calculations, the damping is realized via rescaling the velocity vector to a constant value (in Å/fs) defined via the parameter IRC_VNORM0.

Related tags and articles

IRC calculations, IRC_DIRECTION , IRC_STOP, IRC_DELTA0, IRC_MINSTEP, IRC_MAXSTEP

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