[Wien] BFGS Warning
Jack London
yshzhang88 at yahoo.com
Wed Sep 22 10:28:09 CEST 2004
Dear all
When I using PORT to minimize surface structure, it
generate some warning message in case.outputM file.
:Warning: BFGS Theta reduced to 0.939262143119133
What's the meaning of the warning message?
Another question:
I chose PORT method in case.inM not BFGS, why it
generate BFGS warning message?
case.inM
PORT 5.0
0.6 0.6 0.6 1.0
0.6 0.6 0.6 1.0
0.6 0.6 0.6 1.0
0.6 0.6 0.6 1.0
0.0 0.0 0.0 1.0
0.6 0.6 0.6 1.0
Best regards
Zhang
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