MD_NUM_ITER (.param)

Keyword type

Integer

Description

This keyword determines the total number of steps that will be performed in a molecular dynamics calculation.

The default value for this parameter is 100.

Example

MD_NUM_ITER : 125
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

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