Keyword LPCONSERVE

This keyword enables enforcement of linear and angular momentum conservation during a BOMD run.
Options:
ON / OFF

	ON		Momentum conservation is enabled. This is the default.
	OFF		Momentum conservation is disabled.
	TOL=$<$Real$>$		Tolerance for momentum conservation. The default is $10^{-10}$ atomic units.
	FORCES		Momentum conservation is applied on particle forces.
	VELOCITIES		Momentum conservation is applied on particle velocities.

Description:
In nature the linear and angular momentum of an isolated system are conserved. In molecular dynamics simulations, these conservation laws can be violated through numerical noise. The keyword LPCONSERVE enforces momentum conservation by adding compensating forces to the system [233]. These compensating forces modify the calculated forces in a least-squares sense to conserve momentum. Note that momentum conservation cannot be guaranteed if the system is in contact with an external thermostat.
Option FORCES act on particle forces only, this is sufficient to ensure momentum conservation if a microcanonical simulation is performed, but if a canonical simulation is requested, it is advisable to enable the modification on the velocities as well, with the option VELOCITIES. The option TOL specifies the tolerance for the requested linear and angular momentum conservation.