Hello Ulf,
Thanks for the PDF and replying!
I may have been a little unclear as to what I want to achieve.
The new integrator is purposed to be used with NVT ensembles (specifically, I'd like for it to specifically run on the simplebilayer.tcl simulation).
It, like the existing integrator, has two specific steps for updating the velocity and position of a particle. These equations are slightly different and do use the forces from the previous configuration (both F(n) and F(n+1) are needed for the velocity update). A good suggestion was to create a new particle field for the additional prev_force data needed.
Do you think adding the the two integration steps into the existing code (position update to void propagate_vel_pos in integrate.cpp and velocity update right next to the 4th velocity verlet step in integrate_vv under integrate.cpp) is a right line of thought?
Thanks again,
Evyatar.