Parameters for calculating force

Parameters here are for calculating atomic force. The atomic force is defined as the negative derivative of the total energy with respect to the displacement of atomic position.

calculation.force.decomposed

key word	:	calculation.force.decomposed
possible values	:	1, true, 0, false
default value	:	false
description	:	If true, the total force will be decomposed into
		several terms and the value of each term is given. If
		false, only the total force is given.
an example	:	calculation.force.decomposed = true

calculation.force.movingAtoms

key word	:	calculation.force.movingAtoms
possible values	:	integer array
default value	:	all atoms in the central cell
description	:	The 3*n force components corresponding to the atoms
		listed in the movingAtoms will be calculated, and the
		other force components will be given as NaN or zero.
		Please note that the order of the atoms has been listed
		in the output file Atoms.txt, which may be different
		from original input.
an example	:	calculation.force.movingAtoms = [10:291]