| CODESSA | ||
|---|---|---|
|
Appendix A. Keyword Reference |  |
| CODESSA | ||
|---|---|---|
|
|
Appendix A. Keyword Reference | |
CODESSA — Generate output options for CODESSA™
CODESSA
CODESSA is used to generate keyword options for use with Semichem™’s CODESSA™ program. Keyword CODESSA will be expanded by AMPAC™ to include keywords GRADIENTS, VECTORS, BONDS=ALL, PI, ENPART, APOLAR, MULLIKEN, and ESP.
As of AMPAC 10, FORCE is no longer supplied by CODESSA and must be added seprately. Also, CODSCF and CODTHERMO are now obsolete and CODESSA is to be used in their place.
 |
Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
|
|
 |
|
| CITRANS |  |
CONNOLLY |