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Appendix E. Debugging |  |
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Appendix E. Debugging | |
CALPAR — Print additional debug information in subroutine CALPAR.
CALPAR
CALPAR generates special debug output and is not for general use. Output information includes occupancies, SCF-RHF electronic energy, and the diagonal element of the CI matrix corresponding to the microstate which describes the ground state. The numbers can be checked against numbers printed out by SCFPRT, MECI, and DEBUG for debugging purposes.
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Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
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| Appendix E. Debugging |  |
COMPFG |