c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ############################################################### c ## ## c ## polpot.i -- specifics of polarization functional form ## c ## ## c ############################################################### c c c poleps induced dipole convergence criterion (rms Debyes/atom) c polsor induced dipole SOR convergence acceleration factor c p2scale scale factor for 1-2 polarization energy interactions c p3scale scale factor for 1-3 polarization energy interactions c p4scale scale factor for 1-4 polarization energy interactions c p5scale scale factor for 1-5 polarization energy interactions c p41scale additional factor for 1-4 intragroup polarization c d1scale scale factor for intra-group direct induction c d2scale scale factor for 1-2 group direct induction c d3scale scale factor for 1-3 group direct induction c d4scale scale factor for 1-4 group direct induction c u1scale scale factor for intra-group mutual induction c u2scale scale factor for 1-2 group mutual induction c u3scale scale factor for 1-3 group mutual induction c u4scale scale factor for 1-4 group mutual induction c poltyp type of polarization potential (direct or mutual) c c real*8 poleps,polsor real*8 p2scale,p3scale real*8 p4scale,p5scale real*8 p41scale real*8 d1scale,d2scale real*8 d3scale,d4scale real*8 u1scale,u2scale real*8 u3scale,u4scale character*6 poltyp common /polpot/ poleps,polsor,p2scale,p3scale,p4scale,p41scale, & p5scale,d1scale,d2scale,d3scale,d4scale,u1scale, & u2scale,u3scale,u4scale,poltyp