# DEFINE_REGION

Section can be repeated.

This section provides the possibility to define arbitrary region [Edit on GitHub]

## Keywords

- DO_LANGEVIN

- LIST

- NOISY_GAMMA_REGION

- TEMPERATURE

- TEMP_TOL

## Keyword descriptions

DO_LANGEVIN: logical = T

  Lone keyword: `T`

  Usage: do_langevin .TRUE.

  Mentions: ⭐Langevin Dynamics

  When ENSEMBLE is set to LANGEVIN, Controls whether the atoms in the thermal region should undergo Langevin MD. If not, then they will undergo NVE Born-Oppenheimer MD. [Edit on GitHub]

LIST: integer[ ]

  Keyword can be repeated.

  Usage: LIST {integer} {integer} .. {integer}

  Mentions: ⭐Langevin Dynamics

  Specifies a list of atoms belonging to the region. [Edit on GitHub]

NOISY_GAMMA_REGION: real = [fs^-1]

  Usage: noisy_gamma_region 4.0E-5

  References: Khne2007

  Special imaginary Langevin Friction term for Langevin Dynamics with noisy forces for the atoms in this region. When set, overrides the general value set by NOISY_GAMMA in the MOTION%MD%LANGEVIN section. When unset for a defined region, the general NOISY_GAMMA value applies. [Edit on GitHub]

TEMPERATURE: real = 0.00000000E+000 [K]

  Usage: temperature 5.0

  Mentions: ⭐Langevin Dynamics

  The temperature in K used to initialize the velocities of the atoms in this region [Edit on GitHub]

TEMP_TOL: real = 0.00000000E+000 [K]

  Usage: temp_tol 0.0

  Maximum accepted temperature deviation from the expected value for this region. If temp_tol=0 no rescaling is performed [Edit on GitHub]