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fix_lb_viscous.cpp
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Tue, Sep 3, 06:16
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rLAMMPS lammps
fix_lb_viscous.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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: Frances Mackay, Santtu Ollila, Colin Denniston (UWO)
------------------------------------------------------------------------- */
#include "math.h"
#include "stdlib.h"
#include "string.h"
#include "fix_lb_viscous.h"
#include "atom.h"
#include "update.h"
#include "respa.h"
#include "error.h"
#include "fix_lb_fluid.h"
#include "modify.h"
#include "group.h"
using
namespace
LAMMPS_NS
;
using
namespace
FixConst
;
/* ---------------------------------------------------------------------- */
FixLbViscous
::
FixLbViscous
(
LAMMPS
*
lmp
,
int
narg
,
char
**
arg
)
:
Fix
(
lmp
,
narg
,
arg
)
{
if
(
narg
<
3
)
error
->
all
(
FLERR
,
"Illegal fix lb/viscous command"
);
int
groupbit_lb_fluid
=
0
;
for
(
int
ifix
=
0
;
ifix
<
modify
->
nfix
;
ifix
++
)
if
(
strcmp
(
modify
->
fix
[
ifix
]
->
style
,
"lb/fluid"
)
==
0
){
fix_lb_fluid
=
(
FixLbFluid
*
)
modify
->
fix
[
ifix
];
groupbit_lb_fluid
=
group
->
bitmask
[
modify
->
fix
[
ifix
]
->
igroup
];
}
if
(
groupbit_lb_fluid
==
0
)
error
->
all
(
FLERR
,
"the lb/fluid fix must also be used if using the lb/viscous fix"
);
int
*
mask
=
atom
->
mask
;
int
nlocal
=
atom
->
nlocal
;
for
(
int
j
=
0
;
j
<
nlocal
;
j
++
){
if
((
mask
[
j
]
&
groupbit
)
&&
!
(
mask
[
j
]
&
groupbit_lb_fluid
))
error
->
one
(
FLERR
,
"to apply a fluid force onto an atom, the lb/fluid fix must be used for that atom."
);
}
}
/* ---------------------------------------------------------------------- */
FixLbViscous
::~
FixLbViscous
()
{
}
/* ---------------------------------------------------------------------- */
int
FixLbViscous
::
setmask
()
{
int
mask
=
0
;
mask
|=
POST_FORCE
;
mask
|=
POST_FORCE_RESPA
;
mask
|=
MIN_POST_FORCE
;
return
mask
;
}
/* ---------------------------------------------------------------------- */
void
FixLbViscous
::
init
()
{
if
(
strcmp
(
update
->
integrate_style
,
"respa"
)
==
0
)
nlevels_respa
=
((
Respa
*
)
update
->
integrate
)
->
nlevels
;
}
/* ---------------------------------------------------------------------- */
void
FixLbViscous
::
setup
(
int
vflag
)
{
if
(
strcmp
(
update
->
integrate_style
,
"verlet"
)
==
0
)
post_force
(
vflag
);
else
{
((
Respa
*
)
update
->
integrate
)
->
copy_flevel_f
(
nlevels_respa
-
1
);
post_force_respa
(
vflag
,
nlevels_respa
-
1
,
0
);
((
Respa
*
)
update
->
integrate
)
->
copy_f_flevel
(
nlevels_respa
-
1
);
}
}
/* ---------------------------------------------------------------------- */
void
FixLbViscous
::
min_setup
(
int
vflag
)
{
post_force
(
vflag
);
}
/* ---------------------------------------------------------------------- */
void
FixLbViscous
::
post_force
(
int
vflag
)
{
// apply drag force to atoms in group
// direction is opposed to velocity vector
// magnitude depends on atom type
double
**
f
=
atom
->
f
;
int
*
mask
=
atom
->
mask
;
int
nlocal
=
atom
->
nlocal
;
double
**
hydroF
=
fix_lb_fluid
->
hydroF
;
for
(
int
i
=
0
;
i
<
nlocal
;
i
++
)
if
(
mask
[
i
]
&
groupbit
)
{
f
[
i
][
0
]
+=
hydroF
[
i
][
0
];
f
[
i
][
1
]
+=
hydroF
[
i
][
1
];
f
[
i
][
2
]
+=
hydroF
[
i
][
2
];
}
}
/* ---------------------------------------------------------------------- */
void
FixLbViscous
::
post_force_respa
(
int
vflag
,
int
ilevel
,
int
iloop
)
{
if
(
ilevel
==
nlevels_respa
-
1
)
post_force
(
vflag
);
}
/* ---------------------------------------------------------------------- */
void
FixLbViscous
::
min_post_force
(
int
vflag
)
{
post_force
(
vflag
);
}
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