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: real = [K]

Specify the target temperature [Edit on GitHub]

TEMP_TOL: real = 0.00000000E+000 [K]

Specify the tolerance on the temperature for rescaling [Edit on GitHub]

TEMP_TOL_STEPS: integer = 0

Specify the number of steps to apply a temperature control [Edit on GitHub]