Argument Definitions (+ indicates altered content) REAL*8 PSI(*), +WK0(*)
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. * * ### radialden ### Calculates total radial densities relative to centres A (z-R/2) and B (z+R/2) along the internuclear axis (from A to -\infty or B to +\infty).
Source file: radialden.f
I/O Operations: Unit ID Unit No Access Form Operation IUNIT SEQ FMTD O IUNIT C Operation codes A=rewind,B=backspace,C=close,E=endfile I=inquire,O=open,R=read,W=write
External Functions and Subroutines Called SUBROUTINE PRTDENA, PRTDENB, ZEROARRAY
Local Variables (+ indicates altered content) INTEGER +I, +IBORB, +IORB, +IUNIT INTEGER +NGORB REAL*8 +COO
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60) ADDRESS3 INTEGER I1SI(60) ADDRESS5 INTEGER I1MU(60) CONFIG INTEGER NORB CONSINT INTEGER IONE DEBUG INTEGER IPRINT(1000) GRIDI INTEGER NNI ORBITR REAL*8 OCC(60)
Argument Definitions (+ indicates altered content) INTEGER IOUTMAT, M, N REAL*8 A(M,N)
Description ### prtdenA ###
Source file: radialden.f
I/O Operations: Unit ID Unit No Access Form Operation IOUTMAT 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 +IMU, +IN REAL*8 +R1T
Referenced Common Block Variables (+ indicates altered content) CONSFP REAL*8 HALF GRIDR REAL*8 VETA(1500) GRIDR REAL*8 VXI(2500) INPUTD2 REAL*8 R
Argument Definitions (+ indicates altered content) INTEGER IOUTMAT, M, N REAL*8 A(M,N)
Description ### prtdenB ###
Source file: radialden.f
I/O Operations: Unit ID Unit No Access Form Operation IOUTMAT 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 +IMU, +IN REAL*8 +R2T
Referenced Common Block Variables (+ indicates altered content) GRIDR REAL*8 VETA(1500) GRIDR REAL*8 VXI(2500) INPUTD2 REAL*8 R