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
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
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