---
name: "detcasman"
section: "1"
platform: "linux"
package: "psi3"
version: "3.4.0-6+b3"
release: "Debian 12 (Bookworm)"
platforms: ["linux"]
url: "https://new.carta.tech/detcasman"
---

# detcasman(1)

Determinant Configuration Interaction / Complete Active Space Self-Consistent-Field Program Manager

## 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.