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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.
SUBROUTINE ERD__MOVE_RY
+
+ ( NINTGRL,NINDEX,
+ NOTMOVE,MOVE,NRY,
+ INDEX,
+ TILE,
+ X,
+
+ IXOFF,
+ Y )
+
C------------------------------------------------------------------------
C OPERATION : ERD__MOVE_RY
C MODULE : ELECTRON REPULSION INTEGRALS DIRECT
C MODULE-ID : ERD
C SUBROUTINES : ERD__TRANSPOSE_BATCH
C ERD__MAP_IJKL_TO_IKJL
C DESCRIPTION : This routine moves all ry-components located on the
C far right in array X to a specific position to the left
C in array Y:
C
C X (1,2,3,...,RY) ---> Y ( 1, 2, 3,...)
C | | | | |
C --->------^--^--^...^
C
C The part of X that is not moved (i.e. the # of
C invariant indices to the left in X) has been calculated
C beforehand and is transmitted through argument.
C
C
C Input:
C
C NINTGRL = total # of integrals
C NINDEX = total # of possible target places
C NOTMOVE = inactive # of indices
C MOVE = # of indices that will be moved
C NRY = # of ry-components to be moved
C INDEX = place 1,2,3,... to which the
c ry-components will be placed in
C array Y (must be within the range
C 1 =< INDEX =< NINDEX)
C TILE = the level 1 cache tile
C X = initial set of integrals
C IXOFF (I) = NINDEX-fold array indicating total
C # of elements preceeding place
C I = 1,2,3,... before the move
C (with IXOFF(1)=1)
C
C Output:
C
C IXOFF (I) = updated NINDEX-fold array
C indicating total # of elements
C preceeding place I = 1,2,3,...
C after the move
C Y = final set of integrals
C
C
C AUTHOR : Norbert Flocke
C------------------------------------------------------------------------
C
C
C ...include files and declare variables.
C
C
IMPLICIT NONE
INTEGER I
INTEGER INDEX
INTEGER MOVE
INTEGER NINDEX
INTEGER NINTGRL
INTEGER NOTMOVE
INTEGER NRY
INTEGER TILE
INTEGER IXOFF (1:NINDEX)
DOUBLE PRECISION X (1:NINTGRL)
DOUBLE PRECISION Y (1:NINTGRL)
C
C
C------------------------------------------------------------------------
C
C
C ...check, if the move is simply a transposition
C or a more general ijkl -> ikjl move.
C
C
IF (NOTMOVE.EQ.1) THEN
CALL ERD__TRANSPOSE_BATCH
+
+ ( MOVE,NRY,
+ TILE,
+ X,
+
+ Y )
+
+
ELSE
CALL ERD__MAP_IJKL_TO_IKJL
+
+ ( NOTMOVE,MOVE,NRY,1,
+ TILE,
+ X,
+
+ Y )
+
+
END IF
C
C
C ...update IXOFF values.
C
C
DO 10 I = INDEX,NINDEX
IXOFF (I) = IXOFF (I) * NRY
10 CONTINUE
C
C
C ...ready!
C
C
RETURN
END
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