~ubuntu-branches/ubuntu/precise/psicode/precise

.ds OS UNIX

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.TH cints 1 " 04 Jan, 2000" "\*(]W" "\*(]D"
.  \"
.  \" Notice of Document Modification
.  \"
.  \"   man page updated by Edward Valeev, 4 Jan 00
.  \"
.  \"
.SH NAME
.B cints 
\- One- and Two-Electron (Derivative) Integrals Program

.SH DESCRIPTION
.LP
The program
.B cints
computes (derivative) integrals of some one- and two-electron operators which appear in 
quantum chemical theories
over symmetry-adapted cartesian and spherical harmonics Gaussian functions.

.SH DOCUMENTATION
.LP
Man-page is no longer supported. HTML-based documentation is 
in index.html.

.pN INPUT   "	Input file"
.pN FILE30  "	Checkpoint file"
.pN FILE31
.eL "FILES REQUIRED"

.sL
.pN 
.eL "TEMPORARY FILES USED"

.sL
.pN OUTPUT
.pN FILE33     "   Electron repulsion integrals"
.pN FILE35     "   All one-electron integrals"


.SH INPUT FORMAT
Input for this program is read from the file
.pN INPUT . 
Most of the keywords are not neccessary for routine
task. The following keywords are valid:

.IP "\fBPRINT =\fP \fIinteger\fP"
Determines amount of information to be printed. Defaults to 0.

.IP "\fBCUTOFF =\fP \fIintegral\fP"
The negative of the exponent of the cutoff imposed on two-electron integrals.
Default is 15 which results in two-electron integrals of greater than 1e-15
magnitude to be stored in FILE33.

.IP "\fBS_FILE =\fP \fIinteger\fP"
The file number to store overlap integrals. Defaults to 35.

.IP "\fBT_FILE =\fP \fIinteger\fP"
The file number to store kinetic energy integrals. Defaults to 35.

.IP "\fBV_FILE =\fP \fIinteger\fP"
The file number to store nuclear attraction integrals. Defaults to 35.

.IP "\fBERI_FILE =\fP \fIinteger\fP"
The file number to store electron repulsion integrals. Defaults to 33.