airyfl

Flags AIRYFL and PRAIRY

The flag AIRYFL should be set

.FALSE. if the Airy integrator is not to be used

If AIRYFL is .FALSE., then the parameters which govern the Airy integration (AIRYFL, TOLAI, RINCR and RENDAI) are assigned the following values:

TOLAI = 1.

RINCR = 1.

RENDAI = RENDLD

Note that the last assignment insures that if AIRYFL = .FALSE., then the CC equations are integrated from RSTART to RENDLD only.

If the flag PRAIRY is set .TRUE., then at each step of the Airy integration the values of RNOW (the mid-point of the current interval), DRNOW (the width of the current interval), CDIAG (the maximum estimated diagonal correction), and COFF (the maximum estimated off-diagonal correction) are printed out. The definition of CDIAG and COFF is explained in M. H. Alexander, J. Chem. Phys. 81, 4510 (1984).

Do not set AIRYFL and LOGDFL both .FALSE.

See also the RINCR, LOGDFL and TOLAI help files.

Return to Hibridon Help