Argument Definitions (+ indicates altered content) INTEGER IORB1 REAL*8 F4(*), PSI(*), WGT2(*), 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. * * ### ortho ### Orthogonalizes a given orbital using the Schmidt algorithm
Source file: ortho.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 GENERIC*8 ABS GENERIC*4 MIN GENERIC*8 SQRT
External Functions and Subroutines Called REAL*8 DOT SUBROUTINE AXPY, PROD, PROD2, QSORTF SUBROUTINE SCAL
Local Variables (+ indicates altered content) INTEGER +IBEG1, +IBEG3, INDEX(60), +IORB2 INTEGER +IORB3, +IRA, +ISTP(60), +JOR INTEGER +JOR1, +NGRID REAL*8 +ANO, +OVLA(60), +OVLA1(60)
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60) ADDRESS3 INTEGER I1SI(60) COMPATAB CHARACTER*8 BOND(60), GUT(60) COMPATAB INTEGER IORN(60) CONFIG INTEGER NORB CONSFP REAL*8 ONE, ZERO CONSINT INTEGER IONE DEBUG INTEGER IPRINT(1000) NOENG INTEGER NLM(60,60) ORBITI INTEGER IGE(60), MGX(9,60) ORBITR REAL*8 +WSTORTHOG(60)