Argument Definitions (+ indicates altered content) INTEGER IORB REAL*8 PSI(*)
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. * * ### setCi ### Determines Ci symmetry of a given orbital (or set of orbitals) and uses it to replace the values in the [pi/2,pi] region by these from the [0,pi/2] one.
Source file: setCi.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 SETCIORB
Local Variables (+ indicates altered content) INTEGER +I, +IBEG, +IHSYM, +IORB1 INTEGER +IORB2, +N2, +NMUT
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60) ADDRESS5 INTEGER I1MU(60) COMPATAB CHARACTER*8 BOND(60), GUT(60) COMPATAB INTEGER IORN(60) CONFIG INTEGER NORB DEBUG INTEGER IPRINT(1000) GRIDI INTEGER NNI ORBITI INTEGER IHOMO(60)