c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ################################################################ c ## ## c ## piorbs.i -- conjugated system in the current structure ## c ## ## c ################################################################ c c c norbit total number of pisystem orbitals in the system c iorbit numbers of the atoms containing pisystem orbitals c reorbit number of evaluations between orbital updates c nconj total number of separate conjugated piystems c kconj contiguous list of atoms in each pisystem c iconj first and last atom of each pisystem in the list c piperp atoms defining a normal plane to each orbital c nbpi total number of bonds affected by the pisystem c ibpi bond and piatom numbers for each pisystem bond c ntpi total number of torsions affected by the pisystem c itpi torsion and pibond numbers for each pisystem torsion c listpi atom list indicating whether each atom has an orbital c c integer norbit,iorbit integer reorbit,nconj integer kconj,iconj integer piperp integer nbpi,ibpi integer ntpi,itpi logical listpi common /piorbs/ norbit,iorbit(maxatm),reorbit,nconj,kconj(maxatm), & iconj(2,maxatm),piperp(3,maxatm),nbpi, & ibpi(3,maxbnd),ntpi,itpi(2,maxtors),listpi(maxatm)