SUBROUTINE PREPGAUSSCUST ( )

Description
                                                                        * 
  Copyright (C) 1997-2010 Jacek Kobus               * 
                                                                        * 
  This program is free software; you can redistribute it and/or modify  * 
  it under the terms of the GNU General Public License version 2 as     * 
  published by the Free Software Foundation.                            * 
                                                                        * 
 
### prepGaussCust ### 
 
    Reads the (customized) output from the GAUSSSIAN94/98 program 
    (gausssianl.out file) c to determine parameters of the basis 
    functions (n, l, m, exponents) c and coefficients of molecular 
    orbitals. 
    The basis can contain functions defined on centres A and B and 
    also at the bond centre. 
 
    Last modified 7/09/02 
    This routine extracts data from the customized (long) output 
    (see ISKIP below)
Source file:prepGaussCust.f
I/O Operations:
Unit ID  Unit No       Access  Form   Operation
               7          SEQ  FMTD         OR   
      *                   SEQ  FMTD           W  
               7          SEQ          A         

Operation codes A=rewind,B=backspace,C=close,E=endfile
                I=inquire,O=open,R=read,W=write
Intrinsic Functions Called
DOUBLE PRECISION   DBLE
GENERIC*8          ABS,        SQRT
External Functions and Subroutines Called
REAL*8             FACTOR,     FACTOR2
Parameter Variables Used
INTEGER            MAXBASIS           (MAXBASIS = 650)
REAL*8             SYMTHRESH          (SYMTHRESH = 0.001D0)
Local Variables (+ indicates altered content)
CHARACTER*3       +CONBT(MAXBASIS)
CHARACTER*9       +MATCHSTR
CHARACTER*2       +ST
INTEGER           +I,         +IB,        +IBC
INTEGER           +IBFRES(MAXBASIS),      +IBPT,      +IBR
INTEGER           +IBRET,     +IBRETT,    +IBT,       +ICENT
INTEGER           +ICENTRE,   +ICOUNT,    +IDAVID,    +IFBO
INTEGER           +IFBORD(60),            +IFDORD(60)
INTEGER           +ILABEL,    +ILINES,    +IORB,      +IPB
INTEGER           +IPRINT0,   +IPRINT1,   +IPRINT2,   +ISKIP
INTEGER           +J,         +K,         +L1,        +M1
INTEGER           +M1ABS,     +N1PRIM,    +N2PRIM,    +N3PRIM
INTEGER           +NEXPON,    +NFBORB
REAL*8            +D1,        +EXCOEFF(0:60,MAXBASIS)
REAL*8            +EXCOEFFM,  +EXCOEFFP,  +EXPON
REAL*8            +SEXPON(3,MAXBASIS)
Referenced Common Block Variables (+ indicates altered content)
CONFIG             INTEGER            NORB
CONSFP             REAL*8             PII
DEBUG              INTEGER            IDBG(1000)
GAUSS20            INTEGER           +ICGAU(650)
GAUSS20            INTEGER           +LPRIM(650)
GAUSS20            INTEGER           +MPRIM(650)
GAUSS20            INTEGER           +NPBASIS
GAUSS20            REAL*8            +FNGAU2(650)
GAUSS20            REAL*8            +PRIMCOEF(60,650)
GAUSS20            REAL*8            +PRIMEXP(650)
GAUSS20            REAL*8            +SHNGAU(650)
ORBIT              INTEGER            MM(60)