In variable temperature MD, the change of temperature at each step is wrongly calculated as the ratio between the cooling/heating rate and the time step, instead of the product. Therefore, the change per time step is wrong if the time step is not 1 fs.
In variable temperature MD, the change of temperature at each step is wrongly calculated as the ratio between the cooling/heating rate and the time step, instead of the product. Therefore, the change per time step is wrong if the time step is not 1 fs.
temp_change_step = md_variable_temperature_rate / mdl%timestepshould be
temp_change_step = md_variable_temperature_rate * mdl%timestepSorry for the inconvenience.