C C xsigmaa.inc C C used to store pointers for certain data elements C required for the function passed to the powell minimizer C - data must be passed through a common block C C Paul Adams and Axel Brunger C C parameters INTEGER XSNSTP DOUBLE PRECISION XSTOL, XSSTSZ DOUBLE PRECISION XSMAX, XSMIN C number of minimization steps PARAMETER (XSNSTP=50) C tolerance for minimizer and initial step size PARAMETER (XSTOL=1.0D-3, XSSTSZ=1.0D-1) C maximum and minimum allowed values for sigmaa PARAMETER (XSMAX=0.999D0, XSMIN=0.001D0) C number of active reflections and current cycle INTEGER XSREF, XSCYCLE C weight for log likelihood and linear line restraint C XSUSRW is a user supplied weight that is applied to the C the initial weight determined from comparing gradients to give C XSWGHT (the actual weight that will be applied) DOUBLE PRECISION XSWGHT, XSUSRW C phistep for integration in SIGAHLCV code DOUBLE PRECISION PHISTEP C lowest target value and corresponding cycle number DOUBLE PRECISION XSTARG INTEGER XSTCYC C C pointers INTEGER XSEOBS, XSECAL, XSINDX, XSSHLL, XSASTL2, XSWSUM INTEGER PSIGMAA, HPPTYPE, XGOOD, XPCALC, XPA, XPB, XPC, XPD C C integer common block C COMMON /XSIGI/ XSREF, XSCYCLE, XSEOBS, XSECAL, XSINDX, XSSHLL, & XSASTL2, XSWSUM, XSTCYC, PSIGMAA, HPPTYPE, XGOOD, & XPCALC, XPA, XPB, XPC, XPD C C double precision common block C COMMON /XSIGR/ XSWGHT, XSUSRW, XSTARG, PHISTEP C SAVE /XSIGI/ SAVE /XSIGR/ C