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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
DIRECTSCF — Don’t store two electron integrals.
DIRECTSCF
By default, AMPAC™ computes and stores the two-electron integrals once for each geometry and stores them in memory. Using this keyword avoids storing of these integrals by recomputing them on the fly as needed. This saves memory at the cost of increasing the job time. DIRECTSCF is active automatically if the keyword SPARSE is present.
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Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
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DISEX |