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C Copyright (c) 2003-2010 University of Florida
C
C This program is free software; you can redistribute it and/or modify
C it under the terms of the GNU General Public License as published by
C the Free Software Foundation; either version 2 of the License, or
C (at your option) any later version.
C This program is distributed in the hope that it will be useful,
C but WITHOUT ANY WARRANTY; without even the implied warranty of
C MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
C GNU General Public License for more details.
C The GNU General Public License is included in this distribution
C in the file COPYRIGHT.
C THIS PROJECTS OUT LINEARLY DEPENDENT PARTS OF THE INTERNAL COORDINATES
c INPUT
c integer NATOM
c OUTPUT
c double SCR(*)
c double SYMQ(*)
c RECORDS
c get 'COMPNSYQ'
c get 'COMPSYMQ'
c put 'COMPSYMQ'
SUBROUTINE SCHMIDT(NATOM,SCR,SYMQ)
IMPLICIT DOUBLE PRECISION (A-H,O-Z)
DIMENSION SCR(*),SYMQ(*)
COMMON /MACHSP/ IINTLN,IFLTLN,IINTFP,IALONE,IBITWD
DATA TOL /1.D-8/
NSIZE=3*NATOM
CALL IGETREC(20,'JOBARC','COMPNSYQ',1,NSYMOLD)
CALL DGETREC(20,'JOBARC','COMPSYMQ',NSIZE*NSIZE,SCR)
c o loop over vectors
DO I=2,NSYMOLD
IPOS=(I-1)*NSIZE+1
CALL GSCHMIDT(SCR(IPOS),SCR,NSIZE,I-1,SYMQ,ZJUNK,1.D-8)
END DO
CALL XDCOPY(NSIZE*NSIZE,SCR,1,SYMQ,1)
c o renormalize
IOFF=1
DO I=1,NSYMOLD
X=DNRM2(NSIZE,SYMQ(IOFF),1)
IF (ABS(X).GT.TOL) THEN
Z=1.d0/X
CALL XDSCAL(NSIZE,Z,SYMQ(IOFF),1)
END IF
IOFF=IOFF+NSIZE
END DO
CALL DPUTREC(20,'JOBARC','COMPSYMQ',NSIZE*NSIZE,SYMQ)
RETURN
END
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