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<esp2multipole>

<state help="ground-,excited or transitionstate (groundstate,singlet,n2s1)">n2S1</state>
<method help="Method to use derive partial charges, CHELPG and Mulliken implented">CHELPG</method>
<gridsize help="Grid accuracy for numerical integration within CHELPG and GDMA coarse,medium,fine">fine</gridsize>

<constraints help="add constrains to fit">
	<regions help="constrain a region to a certain charge">
		<region>
		<indices help="atom ids">0 1 2 3</indices>
		<charge help="value of charge">0.5</charge>
		</region>
	</regions>
	<pairs help="constrain two charges to same value">
		<pair help="atom ids">0 1</pair>
	</pairs>
</constraints>

</esp2multipole>