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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 fock_denominator(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 Divides each sample of the block V(a,i,b,j) given by the array argument
c by the denominator
c eps = fock(i)+fock(j)-fock(a)-fock(b)
c--------------------------------------------------------------------------
implicit none
include 'interpreter.h'
include 'trace.h'
include 'mpif.h'
include 'epsilon.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)
integer i, j, k
integer array, index, nindex, ierr
integer block, blkndx, seg
integer find_current_block
integer*8 indblk, get_block_index
integer stack
integer comm
integer val1(mx_array_index), val2(mx_array_index)
integer type(mx_array_index)
integer na1, na2, ni1, ni2
integer*8 addr, get_index_from_base
double precision x(1)
#ifdef ALTIX
pointer (dptr, x)
#else
common x
#endif
if (dryrun) return
#ifdef ALTIX
dptr = dshptr
#endif
c---------------------------------------------------------------------------
c Find the indices of the array block.
c---------------------------------------------------------------------------
array = op(c_result_array)
nindex = array_table(c_nindex, array)
do i = 1, nindex
index = array_table(c_index_array1+i-1,array)
type(i) = index_table(c_index_type, index)
seg = index_table(c_current_seg,index)
c-------------------------------------------------------------------------
c Get segment ranges.
c-------------------------------------------------------------------------
call get_index_segment(index, seg, segment_table,
* nsegment_table, index_table,
* nindex_table, val1(i), val2(i))
enddo
c---------------------------------------------------------------------------
c Get array data address.
c---------------------------------------------------------------------------
if (array_table(c_array_type,array) .eq. static_array) then
addr = address_table(array)
indblk = get_index_from_base(addr, x, 2)
else
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_index(array, block, stack,
* blkndx, x, .true.)
endif
if (nindex .eq. 4) then
call fock_divide4(x(indblk), val1(1),val2(1),type(1),
* val1(2),val2(2),type(2),
* val1(3),val2(3),type(3),
* val1(4),val2(4),type(4),
* focka,fockb)
else if (nindex .eq. 2) then
if (array_table(c_array_type,array) .eq. static_array) then
na1 = array_table(c_index_range1, array)
na2 = array_table(c_index_range2,array)
ni1 = array_table(c_index_range1+1,array)
ni2 = array_table(c_index_range2+1,array)
else
na1 = val1(1)
na2 = val2(1)
ni1 = val1(2)
ni2 = val2(2)
endif
call fock_divide2(x(indblk), val1(1),val2(1),type(1),
* na1, na2,
* val1(2),val2(2),type(2),ni1,ni2,
* focka,fockb)
else
print *,'Error in energy_denominator: Result array ',
* 'must have either 4 or 2 indices.'
print *,'array ',array,' has ',nindex,' indices.'
call abort_job()
endif
return
end
subroutine fock_divide4(x, a1,a2,atype,
* i1,i2,itype,b1,b2,btype,
* j1,j2, jtype, epsilon, epsilonb)
implicit none
include 'interpreter.h'
integer a1,a2,b1,b2,i1,i2,j1,j2
integer atype, itype, btype, jtype
double precision x(a1:a2,i1:i2,b1:b2,j1:j2)
double precision epsilon(*), epsilonb(*)
integer a,b,i,j
double precision eps, epsa, epsb, epsi, epsj
double precision val
do j = j1,j2
if (jtype .eq. mobindex) then
epsj = epsilonb(j)
else
epsj = epsilon(j)
endif
do b = b1,b2
if (btype .eq. mobindex) then
epsb = epsilonb(b)
else
epsb = epsilon(b)
endif
do i = i1, i2
if (itype .eq. mobindex) then
epsi = epsilonb(i)
else
epsi = epsilon(i)
endif
do a = a1,a2
if (atype .eq. mobindex) then
epsa = epsilonb(a)
else
epsa = epsilon(a)
endif
val = x(a,i,b,j)
eps = epsi + epsj - epsa - epsb
if (eps .ne. 0.0) x(a,i,b,j) = val/eps
enddo
enddo
enddo
enddo
return
end
subroutine fock_divide2(x, a1,a2,atype,na1,na2,i1,i2,itype,
* ni1,ni2,epsilon, epsilonb)
implicit none
include 'interpreter.h'
integer a1,a2,i1,i2
integer atype, itype
integer na1, na2, ni1, ni2
double precision x(na1:na2,ni1:ni2)
double precision epsilon(*), epsilonb(*)
integer a,i
double precision eps, epsa, epsi
double precision val
if (atype .ne. itype) then
write(6,*) ' Error in fock_divide2: atype .ne. itype '
endif
do i = i1, i2
if (itype .eq. mobindex) then
epsi = epsilonb(i)
else
epsi = epsilon(i)
endif
do a = a1,a2
if (atype .eq. mobindex) then
epsa = epsilonb(a)
else
epsa = epsilon(a)
endif
val = x(a,i)
eps = epsi - epsa
if (eps .ne. 0.0) x(a,i) = val/eps
if (eps .eq. 0.0) x(a,i) = 0.0d0
enddo
enddo
return
end
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