c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ############################################################### c ## ## c ## mpole.i -- multipole components for current structure ## c ## ## c ############################################################### c c c maxpole max components (monopole=1,dipole=4,quadrupole=13) c c pole multipole values for each site in the local frame c rpole multipoles rotated to the global coordinate system c npole total number of multipole sites in the system c ipole number of the atom for each multipole site c polsiz number of multipole components at each atom c pollist multipole site for each atom (0=no multipole) c zaxis number of the z-axis defining atom for each site c xaxis number of the x-axis defining atom for each site c yaxis number of the y-axis defining atom for each site c polaxe local axis type for each multipole site c c integer maxpole parameter (maxpole=13) integer npole,ipole integer polsiz,pollist integer zaxis,xaxis,yaxis real*8 pole,rpole character*8 polaxe common /mpole/ pole(maxpole,maxatm),rpole(maxpole,maxatm),npole, & ipole(maxatm),polsiz(maxatm),pollist(maxatm), & zaxis(maxatm),xaxis(maxatm),yaxis(maxatm), & polaxe(maxatm)