TEMP_CONTROL

Setup parameters to control the temperature during a BAND MD run. [Edit on GitHub]

Keywords

• TEMPERATURE

• TEMP_TOL

• TEMP_TOL_STEPS

Keyword descriptions

TEMPERATURE

Type: real
Default: [K]

Description: Specify the target temperature

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TEMP_TOL

Type: real
Default: 0.00000000E+000 [K]

Description: Specify the tolerance on the temperature for rescaling

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TEMP_TOL_STEPS

Type: integer
Default: 0

Description: Specify the number of steps to apply a temperature control

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