cints(1) [debian man page]

Psi Release 3.0 						1

cints(1)	   PSI COMMANDS FOR UNIX USERS		 cints(1)

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 spher-
     ical 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

     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
	  Determines  amount  of  information  to   be	 printed.
	  Defaults to 0.

     CUTOFF = integral
	  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
	  The file number to store overlap integrals. Defaults to
	  35.

     T_FILE = integer
	  The  file  number  to  store	kinetic energy integrals.
	  Defaults to 35.

     V_FILE = integer
	  The file number to store nuclear attraction  integrals.
	  Defaults to 35.

     ERI_FILE = integer

Psi Release 3.0     Last change:  04 Jan, 2000			1

cints(1)	   PSI COMMANDS FOR UNIX USERS		 cints(1)

	  The  file number to store electron repulsion integrals.
	  Defaults to 33.

Psi Release 3.0     Last change:  04 Jan, 2000			2

ELLINT(3)						User Contributed Perl Documentation						 ELLINT(3)

NAME

       PDL::GSLSF::ELLINT - PDL interface to GSL Special Functions

DESCRIPTION

       This is an interface to the Special Function package present in the GNU Scientific Library.

SYNOPSIS

Functions
FUNCTIONS

       gsl_sf_ellint_Kcomp

	 Signature: (double k(); double [o]y(); double [o]e())

       Legendre form of complete elliptic integrals K(k) = Integral[1/Sqrt[1 - k^2 Sin[t]^2], {t, 0, Pi/2}].

       gsl_sf_ellint_Ecomp

	 Signature: (double k(); double [o]y(); double [o]e())

       Legendre form of complete elliptic integrals E(k) = Integral[  Sqrt[1 - k^2 Sin[t]^2], {t, 0, Pi/2}]

       gsl_sf_ellint_F

	 Signature: (double phi(); double k(); double [o]y(); double [o]e())

       Legendre form of incomplete elliptic integrals F(phi,k)	 = Integral[1/Sqrt[1 - k^2 Sin[t]^2], {t, 0, phi}]

       gsl_sf_ellint_E

	 Signature: (double phi(); double k(); double [o]y(); double [o]e())

       Legendre form of incomplete elliptic integrals E(phi,k)	 = Integral[  Sqrt[1 - k^2 Sin[t]^2], {t, 0, phi}]

       gsl_sf_ellint_P

	 Signature: (double phi(); double k(); double n();
		     double [o]y(); double [o]e())

       Legendre form of incomplete elliptic integrals P(phi,k,n) = Integral[(1 + n Sin[t]^2)^(-1)/Sqrt[1 - k^2 Sin[t]^2], {t, 0, phi}]

       gsl_sf_ellint_D

	 Signature: (double phi(); double k(); double n();
		     double [o]y(); double [o]e())

       Legendre form of incomplete elliptic integrals D(phi,k,n)

       gsl_sf_ellint_RC

	 Signature: (double x(); double yy(); double [o]y(); double [o]e())

       Carlsons symmetric basis of functions RC(x,y)   = 1/2 Integral[(t+x)^(-1/2) (t+y)^(-1)], {t,0,Inf}

       gsl_sf_ellint_RD

	 Signature: (double x(); double yy(); double z(); double [o]y(); double [o]e())

       Carlsons symmetric basis of functions RD(x,y,z) = 3/2 Integral[(t+x)^(-1/2) (t+y)^(-1/2) (t+z)^(-3/2), {t,0,Inf}]

       gsl_sf_ellint_RF

	 Signature: (double x(); double yy(); double z(); double [o]y(); double [o]e())

       Carlsons symmetric basis of functions RF(x,y,z) = 1/2 Integral[(t+x)^(-1/2) (t+y)^(-1/2) (t+z)^(-1/2), {t,0,Inf}]

       gsl_sf_ellint_RJ

	 Signature: (double x(); double yy(); double z(); double p(); double [o]y(); double [o]e())

       Carlsons symmetric basis of functions RJ(x,y,z,p) = 3/2 Integral[(t+x)^(-1/2) (t+y)^(-1/2) (t+z)^(-1/2) (t+p)^(-1), {t,0,Inf}]

AUTHOR

       This file copyright (C) 1999 Christian Pellegrin <chri@infis.univ.trieste.it>, 2002 Christian Soeller.  All rights reserved. There is no
       warranty. You are allowed to redistribute this software / documentation under certain conditions. For details, see the file COPYING in the
       PDL distribution. If this file is separated from the PDL distribution, the copyright notice should be included in the file.

       The GSL SF modules were written by G. Jungman.

perl v5.8.0							    2003-01-29								 ELLINT(3)