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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 return_x(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 return_x must be executed with the following syntax:
c execute return_x x(mu,nu)
c
c--------------------------------------------------------------------------
implicit none
include 'interpreter.h'
include 'trace.h'
include 'parallel_info.h'
include 'int_gen_parms.h'
include 'machine_types.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 nscalar_table
double precision scalar_table(nscalar_table)
integer*8 address_table(narray_table)
logical direct_flag
integer i, j, k
integer nind, nsend
integer ierr, handle
integer blk, blkndx, maxblk
integer*8 indblk, get_block_index
integer*8 integral_scr
integer val1(mx_array_index), val2(mx_array_index)
integer msg(len_sip_server_message)
integer flag
integer stack
double precision x(1)
#ifdef ALTIX
pointer (dptr, x)
#else
common x
#endif
integer array, ind(mx_array_index), seg(mx_array_index)
integer a1, a2, b1, b2
integer m, n, nl2
integer iatom
integer*8 iscr
integer find_current_block
integer*8 get_block_data_index
integer block
integer igrad, component, intermediate
double precision dummy, y
integer flopcount
integer*8 arg64(10)
logical*8 l8false
common /d2int_com/jatom, jx, jcenter
integer jatom, jx, jcenter, dcoord
nl2 = (nbasis * nbasis + nbasis)/2
handle = op(c_result_array)
direct_flag = .false.
#ifdef ALTIX
dptr = dshptr
#endif
c------------------------------------------------------------------------
c Make sure the requested block exists. create_current_block will
c create the block if it does not exist, and simply return if the
c block is already present.
c------------------------------------------------------------------------
call create_current_block(handle,array_table,
* narray_table, index_table,
* nindex_table, segment_table, nsegment_table,
* block_map_table, nblock_map_table, op,
* .true., direct_flag, blk, ierr)
blkndx = ierr
call get_block_computed_flag(handle, blk, blkndx, flag)
if (flag .eq. 0) then
call set_opblock(handle, blk, blkndx, op)
call set_block_computed_flag(handle, blk, blkndx, 1)
endif
stack = array_table(c_array_stack,handle)
indblk = get_block_index(handle, blk, stack,
* blkndx, x, .true.)
c--------------------------------------------------------------------------
c Find the ranges of the AO indices of the input block.
c--------------------------------------------------------------------------
array = op(c_result_array)
nind = array_table(c_nindex,array)
if (nind .ne. 2) then
print *,'Error: Fock_der requires a 2-index argument array.'
print *,'Array ',array,' is defined with ',nind,' indices.'
call abort_job()
endif
do i = 1, nind
ind(i) = array_table(c_index_array1+i-1,array)
seg(i) = index_table(c_current_seg,ind(i))
enddo
call get_index_segment(ind(1), seg(1), segment_table,
* nsegment_table, index_table,
* nindex_table, a1, a2)
call get_index_segment(ind(2), seg(2), segment_table,
* nsegment_table, index_table,
* nindex_table, b1, b2)
c--------------------------------------------------------------------------
c Form the address of the current data block.
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)
indblk = get_block_data_index(array, block, stack,
* blkndx, x)
c---------------------------------------------------------------------------
c Compute data block of integrals.
c---------------------------------------------------------------------------
if (intpkg .eq.flocke_package) then
call comp_return_x(x(indblk), a1, a2, b1, b2,nsend)
else
write(6,*) ' MUST USE ERD IN FOCK_DER!!! '
endif
return
end
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