(git:0de0cc2)
pint_pile.F File Reference

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Modules

module  pint_pile
 Methods to apply a simple Lagevin thermostat to PI runs. v_new = c1*vold + SQRT(kT/m)*c2*random.
 

Functions/Subroutines

subroutine, public pint_pile::pint_pile_init (pile_therm, pint_env, normalmode_env, section)
 initializes the data for a pile run More...
 
subroutine, public pint_pile::pint_pile_step (vold, vnew, p, ndim, first_mode, masses, pile_therm)
 ... More...
 
subroutine, public pint_pile::pint_pile_release (pile_therm)
 releases the pile environment More...
 
subroutine, public pint_pile::pint_calc_pile_energy (pint_env)
 returns the pile kinetic energy contribution More...