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[ESPResSo-users] Trying to understand force_calc


From: Evyatar Arad
Subject: [ESPResSo-users] Trying to understand force_calc
Date: Sun, 15 Mar 2015 14:13:53 +0200

Hello again everyone,

While going through the code of Velocity-Verlet integrator, I’ve noticed the 
3rd integration step is preformed with a call to “force_calc”.
One of the comments describing the function stated that the forces are 
initialised with “friction_thermo_langevin” from the thermostat.cpp code ( 
"Initialise forces with: \ref friction_thermo_langevin (ghost forces with 
zero)”).
This may come as trivial, why are the langevin coefficients needed to 
initialise the particle forces?
Also, I couldn’t actually find any reference in the “force_calc” function’s 
body to “friction_thermo_langevin” or  “init_local_particle_force”. When and 
where does “friction_thermo_langevin” actually gets called?

Have a great week, thanks in advance,
Evyatar.


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