Optimize groupID

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optimize_groupID sets the group of atoms for which the optimization by Velocity-Verlet algorithm will be performed during the simulation.

Summary

Summary for `thermostat_groupID` keyword
Required/optional	Type	Accepted values	Default	See also
Optional	String	Any valid group ID	all (for all atoms)	`thermostat_groupID`, <>eel_groupID, `make_group`

Example

make_group = grp1 block 6 2.0 30.0 2.0 30.0 2.0 30.0

optimize_groupID = grp1

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