Go to the source code of this file.
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module | pint_pile |
| Methods to apply a simple Lagevin thermostat to PI runs. v_new = c1*vold + SQRT(kT/m)*c2*random.
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subroutine, public | pint_pile::pint_pile_init (pile_therm, pint_env, normalmode_env, section) |
| initializes the data for a pile run
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subroutine, public | pint_pile::pint_pile_step (vold, vnew, p, ndim, first_mode, masses, pile_therm) |
| ...
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subroutine, public | pint_pile::pint_pile_release (pile_therm) |
| releases the pile environment
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subroutine, public | pint_pile::pint_calc_pile_energy (pint_env) |
| returns the pile kinetic energy contribution
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