NAME
cints - One- and Two-Electron (Derivative) Integrals Program

DESCRIPTION

The program 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.

DOCUMENTATION

Man-page is no longer supported. HTML-based documentation is in index.html. input.dat Input file FILE30 Checkpoint file FILE31

output.dat
FILE33   Electron repulsion integrals
FILE35   All one-electron integrals




 

INPUT FORMAT
Input for this program is read from the file input.dat. Most of the keywords are not neccessary for routine task. The following keywords are valid:
PRINT = integer
.nr )E 0 Determines amount of information to be printed. Defaults to 0.
CUTOFF = integral
.nr )E 0 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.
S_FILE = integer
.nr )E 0 The file number to store overlap integrals. Defaults to 35.
T_FILE = integer
.nr )E 0 The file number to store kinetic energy integrals. Defaults to 35.
V_FILE = integer
.nr )E 0 The file number to store nuclear attraction integrals. Defaults to 35.
ERI_FILE = integer
.nr )E 0 The file number to store electron repulsion integrals. Defaults to 33.