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.TH clag 1 " 21 June, 1996" "\*(]W" "\*(]D"
.  \"
.  \" Notice of Document Modification
.  \"
.  \"   man page created by Matt Leininger, 21 June 96
.  \"
.  \"
.SH NAME
clag \- Lagrangian Program written in C.

.SH DESCRIPTION
.LP
The program
.B clag
forms the lagrangian matrix from the one and two particle density
matrices and the one and two electron integrals.  The lagrangian
is used for MCSCF and CI derivative calculations.

.SH REFERENCES
.LP
Lagrangian:
.IP "1."
A New Dimension to Quantum Chemistry, Y. Yamaguchi, Y. Osamura, 
J.D. Goddard, H. F. Schaefer III, Oxford Univ. Press, (1994).

.sL
.pN INPUT   "	Input file"
.pN FILE71  "	Transformed one-electron integrals"
.pN FILE72  "	Transformed two-electron integrals"
.pN FILE73  "	One-Particle Density Matrix"
.pN FILE74  "	Two-Particle Density Matrix"
.eL "FILES REQUIRED"

.sL
.pN FILE75  "   Lagrangian"
.pN OUTPUT
.eL "FILES UPDATED"

.SH INPUT FORMAT
.LP
The input for this program is read from the file
.pN INPUT .
The following keywords are valid:

.IP "\fBPRINT =\fP \fIinteger\fP"
This option determines the verbosity of the output.  A value of 0 prints
nothing, a value of 1 prints calculated ci energy and the various components
of the ci energy, a value of 2 prints the one- and two-electron contributions
to the MO lagrangian as well as the MO lagrangian, a value of 3    
prints the one-particle density matrix, and a value of 4 prints the
two-particle density matrix.  Do not use print = 4 unless the test
case is very small.

.IP "\fBWRITE_CAS_FILES =\fP \fIboolean\fP"
If TRUE, then write out the following files in canonical form (p>=q, r>=s,
pq>=rs) in Pitzer order: one-electron integrals (file81), two-electron
integrals (file82), one-particle density matrix (file83), two-particle
density matrix (file84), lagrangian (file85).  This is temporary and
is intended to aid in linking DETCI with CASSCF.

