Example #1
0
        public InteractionPair(OrbitalList orbitals, string leftGroup, string rightGroup)
        {
            mLeftGroup  = leftGroup;
            mRightGroup = rightGroup;

            mOrbitalsLeft.AddRange(orbitals.OrbitalsInInteractionGroup(leftGroup));
            mOrbitalsRight.AddRange(orbitals.OrbitalsInInteractionGroup(rightGroup));
        }
Example #2
0
        internal OrbitalList Clone()
        {
            OrbitalList retval = new OrbitalList();

            for (int i = 0; i < Count; i++)
            {
                retval.Add(this[i].Clone());
            }

            return(retval);
        }