Radovan
Armel Le Bail a �crit:
The list of such freeware really available is short : FOX, PSSP, ESPOIR. Only FOX allows for your optional feature 4.
Many links at the SDPD Internet Course sessions 7 and 8 : http://sdpd.univ-lemans.fr/DU-SDPD/semaine-7/sdpd-7.html http://sdpd.univ-lemans.fr/DU-SDPD/semaine-8/sdpd-8.html
Armel
At 16:09 25/01/2005 -0500, you 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
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