SUBROUTINE NUCLDER ( PSI, E, F0, WGT1, WGT2, DERMU, DERNU, DZNU, WK2, WK3, WK4, WK5 )

Argument Definitions (+ indicates altered content)
REAL*8            +DERMU(NNI,*),          +DERNU(NNI,*)
REAL*8            +DZNU(*),    E(*),       F0(*),      PSI(NNI,*)
REAL*8             WGT1(*),    WGT2(*),    WK2(*),     WK3(*)
REAL*8             WK4(*),     WK5(*)
Description
                                                                        * 
  Copyright (C) 2005-2010 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.                            * 
                                                                        * 
 
### nuclder #### 
    This subroutine calculates the derivative of the orbital density 
    over z (along the internuclear distance) at (0,0,-R/2).  At this 
    point the derivative cannot be calculated in (\nu,\mu) variables 
    since the denominators of the derivative expresion are zero though 
    the derivative over z is finite at the point.  The derivative has 
    to be calculated for non -1 values of \nu and then extrapolated to 
    \nu=-1.
Source file:nuclder.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
Intrinsic Functions Called
DOUBLE PRECISION   DBLE
GENERIC*8          SQRT
External Functions and Subroutines Called
REAL*8             FACTOR
SUBROUTINE         COPY,       DIFFMU,     DIFFNU,     NUCLDER1
SUBROUTINE         PREPDIFF1,  PUTIN,      PUTOUT,     TDEN
Local Variables (+ indicates altered content)
INTEGER           +I,         +I1BEG,     +IB,        +IMU
INTEGER           +INU,       +IORB,      +IPRT,      +L1
INTEGER           +M1,        +N1,        +NGORB,     +NGPOT
INTEGER           +NMUT
REAL*8            +DZMU(6),   +EZ1,       +FN,        +FN1
REAL*8            +SHN1,      +TDERZ,     +TDERZORB1(60)
REAL*8            +TDERZORB2(60),         +TDERZORB3(60)
REAL*8            +TDERZORB4(60)
Referenced Common Block Variables (+ indicates altered content)
ADDRESS1           INTEGER            I1B(60)
ADDRESS3           INTEGER            I1SI(60),  I2SI(60)
ADDRESS5           INTEGER            I1MU(60)
COMPATAB           CHARACTER*8        BOND(60)
COMPATAB           INTEGER            IORN(60)
CONFIG             INTEGER            NORB
CONSFP             REAL*8             PII
CONSINT            INTEGER            IONE
DERIV3             REAL*8             EXEVEN(5)
GRIDI              INTEGER            MXNMU,     NNI
GRIDR              REAL*8             VETA1(1500)
GRIDR              REAL*8             VXI1(2500)
HYDINI             REAL*8             EZA1(60)
INPUTD2            REAL*8             R
ORBITI             INTEGER            MGX(9,60)
SORWK              INTEGER           +ISYM

SUBROUTINE NUCLDER1 ( IORB, PSI, DZNU, DZMU, DERNU, DERMU, WK2, WK3, WK4, WK5 )

Argument Definitions (+ indicates altered content)
INTEGER            IORB
REAL*8            +DERMU(NNI,*),          +DERNU(NNI,*)
REAL*8            +DZMU(6),   +DZNU(5000),            +PSI(NNI,*)
REAL*8             WK2(*),     WK3(*),     WK4(*),     WK5(*)
Description
===============================================================
Source file:nuclder.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         DIFFMU,     DIFFNU,     PUTIN,      PUTOUT
Local Variables (+ indicates altered content)
INTEGER           +I,         +I1BEG,     +IMU,       +INU
INTEGER           +IPRT,      +NGORB,     +NGPOT,     +NMUT
Referenced Common Block Variables (+ indicates altered content)
ADDRESS1           INTEGER            I1B(60)
ADDRESS3           INTEGER            I1SI(60),  I2SI(60)
ADDRESS5           INTEGER            I1MU(60)
DERIV3             REAL*8             EXEVEN(5)
GRIDI              INTEGER            NNI
GRIDR              REAL*8             VETA1(1500)
GRIDR              REAL*8             VXI1(2500)
INPUTD2            REAL*8             R
ORBITR             REAL*8             OCC(60)
SORWK              INTEGER            ISYM

SUBROUTINE TDEN ( IORB, NGORB1, PSI, WK2 )

Argument Definitions (+ indicates altered content)
INTEGER            IORB,      +NGORB1
REAL*8             PSI(*),    +WK2(*)
Description
### tden ### 
   This routine initializes arrays used for differentiation needed in 
   nuclder
Source file:nuclder.f
External Functions and Subroutines Called
SUBROUTINE         EXTINORG
Local Variables (+ indicates altered content)
INTEGER           +I,         +IBORB1,    +IORB1
REAL*8            +COO
Referenced Common Block Variables (+ indicates altered content)
ADDRESS1           INTEGER            I1B(60)
ADDRESS3           INTEGER            I1SI(60)
ORBITR             REAL*8             OCC(60)

SUBROUTINE EXTINORG ( PSI )

Argument Definitions (+ indicates altered content)
REAL*8            +PSI(NNI,*)
Description
extinorg ###
Source file:nuclder.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
Local Variables (+ indicates altered content)
INTEGER           +I,         +IPRT
Referenced Common Block Variables (+ indicates altered content)
DERIV3             REAL*8             EXEVEN(5)
GRIDI              INTEGER            NNI

SUBROUTINE PREPDIFF1 ( )

Description
### prepdiff1 ### 
   This routine initializes arrays used for differentiation 
   needed in nuclder
Source file:nuclder.f
Local Variables (+ indicates altered content)
INTEGER           +I,         +IB,        +IE,        +IG
INTEGER           +K
REAL*8            +A1(9),     +A2(9),     +AA1(9),    +AA2(9)
REAL*8            +W1,        +W2
Referenced Common Block Variables (+ indicates altered content)
DERIV2             REAL*8            +DMU(9,2500)
DERIV2             REAL*8            +DNI(9,1500)
DERIV3             REAL*8            +DMU1(4,10)
DERIV3             REAL*8            +DMU2(4,10)
DERIV3             REAL*8            +DNI1(4),  +DNI2(4)
GRIDI              INTEGER            IEMU(10),  NGRIDS
GRIDI              INTEGER            NNI
GRIDR              REAL*8             HMU(10),   HNI