Hello
I am implementing some DPD polymer simulations and would like to use the
modified velocity-Verlet (VV) algorith used by Groot and Warren in
Groot and Warren, J. Chem. Phys. 107 (11) 1997. I attach a snapshot of
the equations:
As is stated the usual VV is recovered for lambda = 0.5. The
documentation is close to non-existing on this matter so here are the
questions:
1: Does the implemented version of the VV include the 0.5*Delta t^2 term
in the first step? This is shown in the above paper to be crucial to
temperature control in DPD. There is mentioning of some scaling of the
forces in the code (integrate.c) but I am unsure if it means exactly
this...
2: I suspect the lambda thing is NOT implemented in Espressos version of
the VV - does anyone know?
Kind regards and thanks,
Jacob
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