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neigh_request.cpp
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Sun, Aug 18, 07:17
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rLAMMPS lammps
neigh_request.cpp
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "neigh_request.h"
#include "atom.h"
#include "memory.h"
using
namespace
LAMMPS_NS
;
/* ---------------------------------------------------------------------- */
NeighRequest
::
NeighRequest
(
LAMMPS
*
lmp
)
:
Pointers
(
lmp
)
{
// default ID = 0
id
=
0
;
// default is pair request
pair
=
1
;
fix
=
compute
=
command
=
0
;
// default is half neighbor list
half
=
1
;
full
=
0
;
gran
=
granhistory
=
0
;
respainner
=
respamiddle
=
respaouter
=
0
;
half_from_full
=
0
;
ghost
=
0
;
// default is use newton_pair setting in force
newton
=
0
;
// default is every reneighboring
occasional
=
0
;
// default is no auxiliary floating point values
dnum
=
0
;
// default is no neighbors of ghosts
ghost
=
0
;
// default is no copy or skip
copy
=
0
;
skip
=
0
;
iskip
=
NULL
;
ijskip
=
NULL
;
otherlist
=
-
1
;
}
/* ---------------------------------------------------------------------- */
NeighRequest
::~
NeighRequest
()
{
delete
[]
iskip
;
memory
->
destroy
(
ijskip
);
}
/* ----------------------------------------------------------------------
compare this request to other request
return 1 if every variable is same, 0 if different in any way
------------------------------------------------------------------------- */
int
NeighRequest
::
identical
(
NeighRequest
*
other
)
{
int
same
=
1
;
if
(
requestor
!=
other
->
requestor
)
same
=
0
;
if
(
id
!=
other
->
id
)
same
=
0
;
if
(
pair
!=
other
->
pair
)
same
=
0
;
if
(
fix
!=
other
->
fix
)
same
=
0
;
if
(
compute
!=
other
->
compute
)
same
=
0
;
if
(
command
!=
other
->
command
)
same
=
0
;
if
(
half
!=
other
->
half
)
same
=
0
;
if
(
full
!=
other
->
full
)
same
=
0
;
if
(
gran
!=
other
->
gran
)
same
=
0
;
if
(
granhistory
!=
other
->
granhistory
)
same
=
0
;
if
(
respainner
!=
other
->
respainner
)
same
=
0
;
if
(
respamiddle
!=
other
->
respamiddle
)
same
=
0
;
if
(
respaouter
!=
other
->
respaouter
)
same
=
0
;
if
(
half_from_full
!=
other
->
half_from_full
)
same
=
0
;
if
(
newton
!=
other
->
newton
)
same
=
0
;
if
(
occasional
!=
other
->
occasional
)
same
=
0
;
if
(
dnum
!=
other
->
dnum
)
same
=
0
;
if
(
ghost
!=
other
->
ghost
)
same
=
0
;
if
(
copy
!=
other
->
copy
)
same
=
0
;
if
(
same_skip
(
other
)
==
0
)
same
=
0
;
if
(
otherlist
!=
other
->
otherlist
)
same
=
0
;
return
same
;
}
/* ----------------------------------------------------------------------
compare kind of this request to other request
return 1 if same, 0 if different
------------------------------------------------------------------------- */
int
NeighRequest
::
same_kind
(
NeighRequest
*
other
)
{
int
same
=
1
;
if
(
half
!=
other
->
half
)
same
=
0
;
if
(
full
!=
other
->
full
)
same
=
0
;
if
(
gran
!=
other
->
gran
)
same
=
0
;
if
(
granhistory
!=
other
->
granhistory
)
same
=
0
;
if
(
respainner
!=
other
->
respainner
)
same
=
0
;
if
(
respamiddle
!=
other
->
respamiddle
)
same
=
0
;
if
(
respaouter
!=
other
->
respaouter
)
same
=
0
;
if
(
half_from_full
!=
other
->
half_from_full
)
same
=
0
;
if
(
newton
!=
other
->
newton
)
same
=
0
;
if
(
ghost
!=
other
->
ghost
)
same
=
0
;
return
same
;
}
/* ----------------------------------------------------------------------
compare skip attributes of this request to other request
return 1 if same, 0 if different
------------------------------------------------------------------------- */
int
NeighRequest
::
same_skip
(
NeighRequest
*
other
)
{
int
i
,
j
;
int
same
=
1
;
if
(
skip
!=
other
->
skip
)
same
=
0
;
if
(
skip
&&
other
->
skip
)
{
int
ntypes
=
atom
->
ntypes
;
for
(
i
=
1
;
i
<=
ntypes
;
i
++
)
if
(
iskip
[
i
]
!=
other
->
iskip
[
i
])
same
=
0
;
for
(
i
=
1
;
i
<=
ntypes
;
i
++
)
for
(
j
=
1
;
j
<=
ntypes
;
j
++
)
if
(
ijskip
[
i
][
j
]
!=
other
->
ijskip
[
i
][
j
])
same
=
0
;
}
return
same
;
}
/* ----------------------------------------------------------------------
set kind and other values of this request to that of other request
------------------------------------------------------------------------- */
void
NeighRequest
::
copy_request
(
NeighRequest
*
other
)
{
half
=
0
;
if
(
other
->
half
)
half
=
1
;
if
(
other
->
full
)
full
=
1
;
if
(
other
->
gran
)
gran
=
1
;
if
(
other
->
granhistory
)
granhistory
=
1
;
if
(
other
->
respainner
)
respainner
=
1
;
if
(
other
->
respamiddle
)
respamiddle
=
1
;
if
(
other
->
respaouter
)
respaouter
=
1
;
if
(
other
->
half_from_full
)
half_from_full
=
1
;
newton
=
other
->
newton
;
dnum
=
other
->
dnum
;
ghost
=
other
->
ghost
;
}
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