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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
OPTMAX — Set the maximum number of geometry optimization cycles.
OPTMAX=n
The number of geometry optimization cycles in most processes can be increased by
explicitly specifying OPTMAX=n, where n is the maximum number of
cycles. For most calculations, the default value is sufficient, but if this message occurs
carefully examine your input to insure that the proper type of calculation has been requested.
OPTMAX replaces the obsolete keyword
CYCLES in
AMPAC 8.
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Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
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| OPTIRL |  |
OPTPRT |