c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ############################################################# c ## ## c ## xtals.i -- crystal structures for parameter fitting ## c ## ## c ############################################################# c c c e0_lattice ideal lattice energy for the current crystal c moment_0 ideal dipole moment for monomer from crystal c nxtal number of crystal structures to be stored c nvary number of potential parameters to optimize c ivary index for the types of potential parameters c vary atom numbers involved in potential parameters c iresid crystal structure to which each residual refers c rsdtyp experimental variable for each of the residuals c vartyp type of potential parameter to be optimized c c integer nxtal,nvary,ivary integer vary,iresid real*8 e0_lattice,moment_0 character*16 rsdtyp,vartyp common /xtals/ e0_lattice,moment_0,nxtal,nvary,ivary(maxlsq), & vary(2,maxlsq),iresid(maxrsd),rsdtyp(maxrsd), & vartyp(maxlsq)