Maxim
have you checked with Rodrigiez Carvajal...I know he inserted some annealing methods in fullprof.
Best wishes
Anna Maxim V. Lobanov wrote:
Dear colleagues,
I would appreciate if anybody could recommend me a freeware simulated annealing (or something similar) package which would have the following features.
1) would allow to construct the starting model for every event as
combination of N1 atoms at explicitly specified positions + N2 atoms
randomly generated
2) would allow to choose between fixing or refining the atomic
positions for the N1 group during MC cycles
3) would allow minimal and maximal distance constraints with controlled "flexibility"
I admit that all (or, at least, many) such packages do have those
features (they are quite obvious), but I would prefer not to try all
possibilities.
4) (optional) would allow experimental pattern (rather than F's) as input (with given profile parameters and, for example, point-by-point background); support neutron TOF data...
Sincerely, Maxim. _______________________________________ Maxim V. Lobanov <[EMAIL PROTECTED]> Department of Materials Science and Engineering University of Tennessee 101 South College 1413 Circle Dr. Knoxville, TN 37996
