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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 remove_sd(array_table,
* narray_table, index_table,
* nindex_table, segment_table, nsegment_table,
* block_map_table, nblock_map_table,
* scalar_table, nscalar_table,
* address_table, op)
c--------------------------------------------------------------------------
c
c
c--------------------------------------------------------------------------
implicit none
include 'interpreter.h'
include 'trace.h'
#ifdef ALTIX
include 'sheap.h'
#endif
integer narray_table, nindex_table, nsegment_table,
* nblock_map_table
integer op(loptable_entry)
integer array_table(larray_table_entry, narray_table)
integer index_table(lindex_table_entry, nindex_table)
integer segment_table(lsegment_table_entry, nsegment_table)
integer block_map_table(lblock_map_entry, nblock_map_table)
integer type(mx_array_index)
integer nscalar_table
double precision scalar_table(nscalar_table)
integer*8 address_table(narray_table)
integer*8 iarray, ievec, get_index_from_base
integer i, j, n1, n2, n3, n4
integer array, evec_array
integer array_type, evec_type
integer nindex, nindex_evec
integer ind(mx_array_index)
integer seg, index(mx_array_index), val1(mx_array_index),
* val2(mx_array_index), junk
integer block, blkndx
integer find_current_block
integer*8 get_block_index
integer stack
double precision x(1)
#ifdef ALTIX
pointer (dptr, x)
#else
common x
#endif
if (dryrun) return
#ifdef ALTIX
dptr = dshptr
#endif
c----------------------------------------------------------------------------
c Locate the data for the input matrix.
c---------------------------------------------------------------------------
array = op(c_result_array)
evec_array = op(c_op1_array)
if (array .eq. 0 .or. evec_array .eq. 0) then
print *,'Error: remove_single routine requires 2
* array arguments.'
print *,(op(i),i=1,loptable_entry)
call abort_job()
endif
array_type = array_table(c_array_type, array)
evec_type = array_table(c_array_type, evec_array)
nindex = array_table(c_nindex, array)
nindex_evec = array_table(c_nindex, evec_array)
if (nindex .ne. 2) then
write(6,*) ' Remove_sd must use arrays with two indices'
write(6,*) ' Number given =', nindex, nindex_evec
call abort_job()
endif
if (nindex .ne. nindex_evec) then
print *,'Error: Both arrays in return_diagonal must use ',
* 'the same number of indices.'
print *,'First array has ',nindex,' indices.'
print *,'Second array has ',nindex_evec,' indices.'
call abort_job()
endif
do i = 1, nindex
ind(i) = array_table(c_index_array1+i-1,array)
enddo
c---------------------------------------------------------------------------
c Look up each array's address.
c---------------------------------------------------------------------------
block = find_current_block(array, array_table(1,array),
* index_table, nindex_table,
* segment_table, nsegment_table,
* block_map_table, blkndx)
stack = array_table(c_array_stack,array)
iarray = get_block_index(array, block, stack, blkndx, x, .true.)
block = find_current_block(evec_array, array_table(1,evec_array),
* index_table, nindex_table,
* segment_table, nsegment_table,
* block_map_table, blkndx)
stack = array_table(c_array_stack,evec_array)
ievec = get_block_index(evec_array, block, stack, blkndx,x,.true.)
c iarray = get_index_from_base(address_table(array), x, 2)
c ievec = get_index_from_base(address_table(evec_array), x, 2)
n1 = index_table(c_index_size, ind(1)) ! pick up length of index
n2 = index_table(c_index_size, ind(2)) ! pick up length of index
c---------------------------------------------------------------------------
c Find the indices of the array block.
c---------------------------------------------------------------------------
do i = 1, nindex
index(i) = array_table(c_index_array1+i-1,array)
type(i) = index_table(c_index_type, index(i))
seg = index_table(c_current_seg,index(i))
c-------------------------------------------------------------------------
c Get segment ranges.
c-------------------------------------------------------------------------
call get_index_segment(index(i), seg, segment_table,
* nsegment_table, index_table,
* nindex_table, val1(i), val2(i))
enddo
call retnosd(x(iarray),x(ievec),
* val1(1),val2(1),val1(2),val2(2),index,type)
return
end
subroutine retnosd(array1,array2,a1,a2,b1,b2,index,type)
c---------------------------------------------------------------------------
c
c
c---------------------------------------------------------------------------
implicit none
include 'interpreter.h'
include 'int_gen_parms.h'
integer i, a, b, c, d, a1, a2, b1, b2, c1, c2, d1, d2
double precision array1(a1:a2,b1:b2)
double precision array2(a1:a2,b1:b2)
integer index(mx_array_index), type(mx_array_index)
integer nzero, zero(100), index1, index2, index3, index4
integer nszero, ndzero, szero(100), dzero(100)
common /SINDEX/index1, index2, index3, index4
c Initialize output array to input array.
c ---------------------------------------
do a = a1, a2
do b = b1, b2
array2(a,b) = array1(a,b)
enddo ! b
enddo ! a
c
c Determine range of singly occupied indices to be removed.
c ---------------------------------------------------------
b = 0
nszero = 0
if (nalpha_occupied .gt. nbeta_occupied) then
nszero = nalpha_occupied - nbeta_occupied
do a = nalpha_occupied, nbeta_occupied, -1
b = b + 1
szero(b) = a
enddo
endif
if (nbeta_occupied .gt. nalpha_occupied) then
nszero = nbeta_occupied - nalpha_occupied
do a = nbeta_occupied, nalpha_occupied, -1
b = b + 1
szero(b) = a
enddo
endif
if (nalpha_occupied .eq. nbeta_occupied) go to 100
c
c Reduce first index.
c -------------------
do i = 1, nszero
do a = a1, a2
if (szero(i) .eq. a) then
do b = b1, b2
array2(a,b) = 0.0
enddo ! b
endif
enddo ! a
enddo ! i
c
c Determine range of doubly occupied indices to be removed.
c ---------------------------------------------------------
b = 0
ndzero = 0
if (nalpha_occupied .gt. nbeta_occupied) then
ndzero = nbeta_occupied
do a = 1, nbeta_occupied
b = b + 1
dzero(b) = a
enddo
endif
if (nbeta_occupied .gt. nalpha_occupied) then
ndzero = nalpha_occupied
do a = 1, nalpha_occupied
b = b + 1
dzero(b) = a
enddo
endif
c
c Reduce second index.
c -------------------
do i = 1, ndzero
do b = b1, b2
if (dzero(i) .eq. b) then
do a = a1, a2
array2(a,b) = 0.0
enddo ! b
endif
enddo ! a
enddo ! i
100 continue
c
return
end
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