# ADIABATIC_DYNAMICS

References: VandeVondele2002

Parameters used in canonical adiabatic free energy sampling (CAFES). [Edit on GitHub]

Subsections

- THERMOSTAT_FAST
- THERMOSTAT_SLOW

## Keywords

- N_RESP_FAST

- TEMP_FAST

- TEMP_SLOW

- TEMP_TOL_FAST

- TEMP_TOL_SLOW

## Keyword descriptions

N_RESP_FAST: integer = 1

  number of respa steps for fast degrees of freedom [Edit on GitHub]

TEMP_FAST: real = 0.00000000E+000 [K]

  Usage: temp_fast 5.0

  Temperature in K used to control the fast degrees of freedom [Edit on GitHub]

TEMP_SLOW: real = 0.00000000E+000 [K]

  Usage: temp_slow 5.0

  Temperature in K used to control the slow degrees of freedom [Edit on GitHub]

TEMP_TOL_FAST: real = 0.00000000E+000 [K]

  Usage: temp_tol_fast 0.0

  Maximum accepted temperature deviation from the expected value, for the fast motion. If 0, no rescaling is performed [Edit on GitHub]

TEMP_TOL_SLOW: real = 0.00000000E+000 [K]

  Usage: temp_tol_slow 0.0

  Maximum accepted temperature deviation from the expected value, for the slow motion. If 0, no rescaling is performed [Edit on GitHub]