I wanted to ask question about the structure of Verlet pair lists in Espresso.
According
to verlet.h for the non-bonded interactions, the integrator uses verlet
pair lists which contain all particle pairs with a distance smaller
than \ref max_range_non_bonded = \ref max_cut_non_bonded + \ref
integrate::skin. So does a verlet list contain all the particles or
just the particles that are involved in the non-bonded interactions?
Also, does Espresso create Verlet list even if there are no non-bonded interactions in the simulation? (i.e just from setting skin parameter). I would like to have it because not having non-bonded interactions would save some simulation time for me but I still need Espresso to create Verlet list to go over checks that In included in forces.c.
I modified forces.c to go through verlet list and make some checks that
are necessary for my simulation. And the performance of the simulation
seems to depend strongly on types of particles between which I
introduce non-bonded interaction.