Scheutjens-Fleer Implementation

This program performs 2-dimensional Scheutjens-Fleer calculations. This is a numerical self-consistent mean field theory for polymers. The heart of the C program is in the function fcn_(). The solution is found by passing fcn_() to the MINPACK nonlinear algebraic equation solver hybrd1() along with an initial guess of the solution. The initial conditions and other parameters are set by the main() function. A sample initial guess is given in guess_phi_a.1 and guess_uprime.1, and a portion of the output is given in sf.out. Not all of the output may be relevant to the user; some of the output is mainly used for debugging. This example program, which performs Scheutjens-Fleer calculations on 11 * 11 * 3 = 363 sets of parameters/initial conditions, takes 4 days (pretty close to 96 hours) to run to completion on a 150 MHz Pentium Pro machine with 64 MB RAM. To perform Scheutjens-Fleer calculations on parameters differing from those in the following example program, the user can modify the main() function (and recompile) or write a new main() function; in either case, however, hybrd1() and fcn_() remain unchanged.



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