README file in /proj/asc/mb1/optim/new Area for development of optimization routines. Ground rules for the routines: (a) should use value of function only, since many of the quantities to be optimized are expressible only in terms of complicated data sums (b) all routines will be in Sun Fortran 77 (c) all routines will be called from master-routine OPTIM, with options indicating the type of optimization to be attempted. CALL OPTIM(FUNC,XVLO,XVEC,XVHI,NVEC,IOPT) FUNC = R*4 function = name of function to be minimized over the quantities XVEC. The function should be callable as VALUE = FUNC(XVEC,NVEC) XVEC = R*4(length) = vector of argument variables XVLO = R*4(length) = vector of minimum allowed values of argument variables XVHI = R*4(length) = vector of maximum allowed values of argument variables NVEC = I*4 = number of operative variables to minimise over in routine IOPT = I*4 = specify type of mimimization to attempt. IOPT = 1 => Grid-search 2 => Monte Carlo 3 => Powell 4 => simplex 5 => simulated anneal (1s) 6 => simulated anneal (Ns) 7 => sa(1s) + Powell 8 => sa(Ns) + Powell (d) all the options in OPTIM are to be driven by calls of the form CALL GRIDS(FUNC,XVLO,XVEC,XVHI,NVEC) with the variables defined as above. The subroutines are permitted to modify XVEC only, and should return the vector of best parameters after use. (e) all initial tests will be done with the problem of the minimum-energy configuration of a group of positive charges, q, allowed to move on strings of fixed length, l, attached to an origin. The solutions are obvious for the small numbers of strings, but harder for more strings! (f) controlling variables for the energy-function (ECONF, entered in the place of FUNC in the OPTIM call above) are to be stored in a parameter file PARAMETERS.INC (g) in this newer version, it is required that the optimization routines be set up using INIOP before they are run. With this facility, it is also possible to change the mode of operation of the routines "on-the-fly" using GETOP and PUTOP, which read and set the values of the parameters that control the workings of the routines. MB 17-Nov-1992