calculate forces: PLUMED commands "prepareCalc", "performCalcNoUpdate" and "update"
# end timestep
It seems however that even when the "performCalcNoUpdate" command is issued, the current state of the system is stored by VES and used when updating the VES expansion coefficients. To show this, I constructed a MWE. It is just a single atom moving on a harmonic potential, so you only need the PLUMED Python interface in order to run it.
What I see is that the VES output is different when PLUMED calculates the bias twice (two times for the same configuration) in a single time step, from the VES output when PLUMED calculates the bias only once. You can trigger the different behavior by commenting out line 69 of the attached python script.
Does anybody know why this is happening? In short, I would like to be able to compute the bias multiple times, but only affect the VES algorithm every few calculations.
I am using PLUMED version 2.5.1