Provided by: psi3_3.4.0-6_amd64 

NAME
detcasman - Determinant Configuration Interaction /
Complete Active Space Self-Consistent-Field
Program Manager
DESCRIPTION
The program detcasman manages the orbital optimization in a complete-active-space self-consistent field
(CASSCF) procedure. It is a very simple program that runs the integral transformation, CI calculation,
Lagrangian, and orbital rotation modules that work with the DETCI program. The real work of orbital
optimization is done in the program detcas.
FILES REQUIRED
input.dat - Input file
FILES UPDATED
output.dat - Output file
INPUT FORMAT
NCASITER = integer
The number of orbital optimization iterations to be carried out. The driver will stop when this
many iterations have been completed, or earlier if convergence has been achieved. The default
value is 30. See the man pages for DETCI and DETCAS for setting the convergence criteria.
SCALE_CONV = double
The scale factor to be used to determine the CI convergence from the previous iteration's orbital
convergence. We take the smaller of the scaled and unscaled orbital gradients, and multiply this
by the scale factor to determine the CI vector convergence. The default is 0.01.
8 Oct, 1998 detcasman(1)