MD_DAMPING_SCHEME (.param)
Keyword type
String
Description
This keyword controls the damping scheme used during damped molecular dynamics for geometry optimization. Available options are:
- Independent - calculates optimal damping parameters according to the independent modes algorithm.
- Coupled - calculates optimal damping parameters according to the coupled modes algorithm.
- SteepestDescents - performs steepest descent dynamics.
Default
Independent
Example
MD_DAMPING_SCHEME : Coupled