c c c ################################################### c ## COPYRIGHT (C) 2005 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ############################################################ c ## ## c ## dma.i -- distributed multipole analysis components ## c ## ## c ############################################################ c c c mp atomic monopole charge values from DMA c dpx atomic dipole moment x-component from DMA c dpy atomic dipole moment y-component from DMA c dpz atomic dipole moment z-component from DMA c q20 atomic Q20 quadrupole component from DMA (zz) c q21c atomic Q21c quadrupole component from DMA (xz) c q21s atomic Q21s quadrupole component from DMA (yz) c q22c atomic Q22c quadrupole component from DMA (xx-yy) c q22s atomic Q22s quadrupole component from DMA (xy) c c real*8 mp,dpx,dpy,dpz real*8 q20,q21c,q21s real*8 q22c,q22s common /dma/ mp(maxatm),dpx(maxatm),dpy(maxatm),dpz(maxatm), & q20(maxatm),q21c(maxatm),q21s(maxatm),q22c(maxatm), & q22s(maxatm)