Debugging

Abstract

This reference describes special AMPAC keywords specifically intended for troubleshooting and debugging.

Table of Contents

CALPAR — Print additional debug information in subroutine CALPAR.
COMPFG — Print additional debug information in subroutine COMPFG.
DBGHESSE — Print additional debug information in subroutine HESSE1/HESSEI.
DBGLOWDIN — Print additional debug information in subroutine LOWDIN.
DCART — Print additional debug information in subroutine DCART.
DEBUG — Turn on additional debug output.
DEP — Print parameters for semi-empirical methods.
DERI2 — Print additional debug information in subroutine DERI2.
DERIV — Print additional debug information in subroutine DERIV.
DFORCE — Print additional debug information in subroutine FORCE.
DHCORE — Print additional debug information in subroutine DHCORE.
FLEPO — Print additional debug information in subroutine FLEPO.
HCORE — Print additional debug information in subroutine HCORE.
ITER — Print additional debug information in subroutine ITER.
LINMIN — Print additional debug information in subroutine FLEPO1.
MOLDAT — Print additional debug information in subroutine MOLDAT.
REPARAM — Recompute dependent parameters for current semi-emperical method.
TRUST21 — Print additional debug information in subroutine TRUST21.

CALPAR

Print additional debug information in subroutine CALPAR.

COMPFG

Print additional debug information in subroutine COMPFG.

DBGHESSE

Print additional debug information in subroutine HESSE1/HESSEI.

DBGLOWDIN

Print additional debug information in subroutine LOWDIN.

DCART

Print additional debug information in subroutine DCART.

DEBUG

Turn on additional debug output.

DEP

Print parameters for semi-empirical methods.

DERI2

Print additional debug information in subroutine DERI2.

DERIV

Print additional debug information in subroutine DERIV.

DFORCE

Print additional debug information in subroutine FORCE.

DHCORE

Print additional debug information in subroutine DHCORE.

FLEPO

Print additional debug information in subroutine FLEPO.

HCORE

Print additional debug information in subroutine HCORE.

ITER

Print additional debug information in subroutine ITER.

LINMIN

Print additional debug information in subroutine FLEPO1.

MOLDAT

Print additional debug information in subroutine MOLDAT.

REPARAM

Recompute dependent parameters for current semi-emperical method.

TRUST21

Print additional debug information in subroutine TRUST21.