PROGRAM X2DHF ( )

Description
                                                                        * 
  Copyright (C) 1996 Leif Laaksonen, Dage Sundholm                      * 
  Copyright (C) 1996-2010 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.                            * 
                                                                        * 
 
### x2dhf ### 
 
    This is the main routine of the 2DHF program. 
    Dimensions of working arrays have to be defined either statically 
    or dynamically, i.e. based on input data (see prep_src).
Source file:x2dhf.f
I/O Operations:
Unit ID  Unit No       Access  Form   Operation
      *                   SEQ  FMTD           W  

Operation codes A=rewind,B=backspace,C=close,E=endfile
                I=inquire,O=open,R=read,W=write
External Functions and Subroutines Called
SUBROUTINE         DOSCF,      GETDATETIME,            INITARRAYS
SUBROUTINE         INITORBPOT,             INPUTDATA,  MEMALLOC
SUBROUTINE         MEMDEALLOC,             PREPSCF,    PRINTBANNER
SUBROUTINE         PRINTCASE,  PRINTRESULTS,           SEPARATOR
SUBROUTINE         SETDEFAULTS,            SETPRECISION
SUBROUTINE         ZEROARRAYS
Local Variables (+ indicates altered content)
INTEGER            CW_COUL_ADD(1),         CW_EXCH_ADD(1)
INTEGER            CW_ORB_ADD(1),          CW_SCTCH_ADD(1)
INTEGER            CW_SOR_ADD(1),          CW_SUPPL_ADD(1)
INTEGER           +I,         +I4,        +I8,         MU
INTEGER           +MU8,       +NGRID,     +NGRID8,     NI
INTEGER           +NI8,        NONS,       OFFSET1,    OFFSET2
INTEGER            OFFSET3,    OFFSET4,    OFFSET5,    OFFSET6
INTEGER           +SIZE
Referenced Equivalenced Variables (+ indicates altered content)

EQUIV              CHARACTER*80      +DATETIME   COMMON /INPUTD1/
                   CHARACTER         +STR()      Local Var
Referenced Common Block Variables (+ indicates altered content)
COMPATAB           INTEGER            NO
DIMES              INTEGER           +LEXCHRECL
DIMES              INTEGER            MAXGRIDS
INPUTD1            CHARACTER*80      +DATETIME, +DTSTART
INPUTD1            INTEGER            IFORM,     IMETHOD
IOCHAN             INTEGER            LENGTHFP
LENGTHS            INTEGER           +LENGTH1,  +LENGTH2
LENGTHS            INTEGER           +LENGTH3,  +LENGTH4
LENGTHS            INTEGER           +LENGTH5,  +LENGTH6
LENGTHS            INTEGER           +NSCTCH,   +NSUPPL
SCFI               INTEGER           +NEXT

BLOCK DATA FUNCTION

Description
                                                                        * 
  Copyright (C) 1996 Leif Laaksonen, Dage Sundholm                      * 
  Copyright (C) 1996-2010 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.                            * 
                                                                        * 
 
### blk_data.inc ### 
 
    Initialize some data needed by 2DHF
Source file:blk-data.inc
Referenced Common Block Variables (+ indicates altered content)
CONSFP             REAL*8            +EIGHT,    +FIVE
CONSFP             REAL*8            +FOUR,     +HALF
CONSFP             REAL*8            +ONE,      +SEVEN
CONSFP             REAL*8            +SIX,      +TEN
CONSFP             REAL*8            +TENTH,    +THREE
CONSFP             REAL*8            +TWO,      +ZERO
CONSINT            INTEGER           +IFOUR,    +IONE
CONSINT            INTEGER           +ITHREE,   +ITWO
CONSINT            INTEGER           +IZERO
DIMES              INTEGER           +MAXGRIDS, +MAXMPOLE
DIMES              INTEGER           +MAXMU,    +MAXNI
DIMES              INTEGER           +MAXORB
GAUSS20            INTEGER           +MAXNPBASIS
INPUTD1            CHARACTER*10      +FORMFP128
INPUTD1            CHARACTER*10      +FORMFP64, +FORMINT
IOCHAN             INTEGER           +IINP11,   +IINP12
IOCHAN             INTEGER           +IINP13,   +IINP14
IOCHAN             INTEGER           +IINP5,    +IOUT21
IOCHAN             INTEGER           +IOUT22,   +IOUT23
IOCHAN             INTEGER           +IOUT24,   +IOUT6
PERTAB             CHARACTER*2       +ELEMENT(0:100)
PERTAB             REAL*8            +AINFCM,   +ALPHAOPT(0:100)
PERTAB             REAL*8            +ATWEIGHT(0:100)
PERTAB             REAL*8            +AU2DEBYE, +BOHR2ANG
PERTAB             REAL*8            +DGSZ(0:103)