MD_OPT_DAMPED_DELTA_T (.param)
Keyword type
Logical
Description
This keyword controls whether or not the optimal time step will be calculated after each damped molecular dynamics step.
If MD_OPT_DAMPED_DELTA_T : TRUE, the optimal time step will be calculated after each damped molecular dynamics step. Otherwise, a fixed time step will be used.
Default
FALSE
Example
MD_OPT_DAMPED_DELTA_T : TRUE