Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F81342224
fix_smd_adjust_dt.cpp
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Thu, Sep 5, 10:58
Size
6 KB
Mime Type
text/x-c
Expires
Sat, Sep 7, 10:58 (2 d)
Engine
blob
Format
Raw Data
Handle
20554271
Attached To
rLAMMPS lammps
fix_smd_adjust_dt.cpp
View Options
/* ----------------------------------------------------------------------
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.
*
* ----------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
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 <math.h>
#include <stdlib.h>
#include <string.h>
#include "fix_smd_adjust_dt.h"
#include "atom.h"
#include "update.h"
#include "integrate.h"
#include "domain.h"
#include "lattice.h"
#include "force.h"
#include "pair.h"
#include "modify.h"
#include "fix.h"
#include "output.h"
#include "dump.h"
#include "comm.h"
#include "error.h"
using
namespace
LAMMPS_NS
;
using
namespace
FixConst
;
#define BIG 1.0e20
/* ---------------------------------------------------------------------- */
FixSMDTlsphDtReset
::
FixSMDTlsphDtReset
(
LAMMPS
*
lmp
,
int
narg
,
char
**
arg
)
:
Fix
(
lmp
,
narg
,
arg
)
{
if
(
narg
!=
4
)
error
->
all
(
FLERR
,
"Illegal fix smd/adjust_dt command"
);
// set time_depend, else elapsed time accumulation can be messed up
time_depend
=
1
;
scalar_flag
=
1
;
vector_flag
=
1
;
size_vector
=
2
;
global_freq
=
1
;
extscalar
=
0
;
extvector
=
0
;
restart_global
=
1
;
// this fix stores global (i.e., not per-atom) info: elaspsed time
safety_factor
=
atof
(
arg
[
3
]);
// initializations
t_elapsed
=
0.0
;
}
/* ---------------------------------------------------------------------- */
int
FixSMDTlsphDtReset
::
setmask
()
{
int
mask
=
0
;
mask
|=
INITIAL_INTEGRATE
;
mask
|=
END_OF_STEP
;
return
mask
;
}
/* ---------------------------------------------------------------------- */
void
FixSMDTlsphDtReset
::
init
()
{
dt
=
update
->
dt
;
}
/* ---------------------------------------------------------------------- */
void
FixSMDTlsphDtReset
::
setup
(
int
vflag
)
{
end_of_step
();
}
/* ---------------------------------------------------------------------- */
void
FixSMDTlsphDtReset
::
initial_integrate
(
int
vflag
)
{
//printf("in adjust_dt: dt = %20.10f\n", update->dt);
t_elapsed
+=
update
->
dt
;
}
/* ---------------------------------------------------------------------- */
void
FixSMDTlsphDtReset
::
end_of_step
()
{
double
dtmin
=
BIG
;
int
itmp
=
0
;
/*
* extract minimum CFL timestep from TLSPH and ULSPH pair styles
*/
double
*
dtCFL_TLSPH
=
(
double
*
)
force
->
pair
->
extract
(
"smd/tlsph/dtCFL_ptr"
,
itmp
);
double
*
dtCFL_ULSPH
=
(
double
*
)
force
->
pair
->
extract
(
"smd/ulsph/dtCFL_ptr"
,
itmp
);
double
*
dt_TRI
=
(
double
*
)
force
->
pair
->
extract
(
"smd/tri_surface/stable_time_increment_ptr"
,
itmp
);
double
*
dt_HERTZ
=
(
double
*
)
force
->
pair
->
extract
(
"smd/hertz/stable_time_increment_ptr"
,
itmp
);
double
*
dt_PERI_IPMB
=
(
double
*
)
force
->
pair
->
extract
(
"smd/peri_ipmb/stable_time_increment_ptr"
,
itmp
);
if
((
dtCFL_TLSPH
==
NULL
)
&&
(
dtCFL_ULSPH
==
NULL
)
&&
(
dt_TRI
==
NULL
)
&&
(
dt_HERTZ
==
NULL
)
&&
(
dt_PERI_IPMB
==
NULL
))
{
error
->
all
(
FLERR
,
"fix smd/adjust_dt failed to access a valid dtCFL"
);
}
if
(
dtCFL_TLSPH
!=
NULL
)
{
dtmin
=
MIN
(
dtmin
,
*
dtCFL_TLSPH
);
}
if
(
dtCFL_ULSPH
!=
NULL
)
{
dtmin
=
MIN
(
dtmin
,
*
dtCFL_ULSPH
);
}
if
(
dt_TRI
!=
NULL
)
{
dtmin
=
MIN
(
dtmin
,
*
dt_TRI
);
}
if
(
dt_HERTZ
!=
NULL
)
{
dtmin
=
MIN
(
dtmin
,
*
dt_HERTZ
);
}
if
(
dt_PERI_IPMB
!=
NULL
)
{
dtmin
=
MIN
(
dtmin
,
*
dt_PERI_IPMB
);
}
// double **v = atom->v;
// double **f = atom->f;
// double *rmass = atom->rmass;
// double *radius = atom->radius;
// int *mask = atom->mask;
// int nlocal = atom->nlocal;
// double dtv, dtf, dtsq;
// double vsq, fsq, massinv, xmax;
// double delx, dely, delz, delr;
// for (int i = 0; i < nlocal; i++) {
// if (mask[i] & groupbit) {
// xmax = 0.005 * radius[i];
// massinv = 1.0 / rmass[i];
// vsq = v[i][0] * v[i][0] + v[i][1] * v[i][1] + v[i][2] * v[i][2];
// fsq = f[i][0] * f[i][0] + f[i][1] * f[i][1] + f[i][2] * f[i][2];
// dtv = dtf = BIG;
// if (vsq > 0.0)
// dtv = xmax / sqrt(vsq);
// if (fsq > 0.0)
// dtf = sqrt(2.0 * xmax / (sqrt(fsq) * massinv));
// dt = MIN(dtv, dtf);
// dtmin = MIN(dtmin, dt);
// dtsq = dt * dt;
// delx = dt * v[i][0] + 0.5 * dtsq * massinv * f[i][0];
// dely = dt * v[i][1] + 0.5 * dtsq * massinv * f[i][1];
// delz = dt * v[i][2] + 0.5 * dtsq * massinv * f[i][2];
// delr = sqrt(delx * delx + dely * dely + delz * delz);
// if (delr > xmax)
// dt *= xmax / delr;
// dtmin = MIN(dtmin, dt);
//
//// xmax = 0.05 * radius[i];
//// massinv = 1.0 / rmass[i];
//// fsq = f[i][0] * f[i][0] + f[i][1] * f[i][1] + f[i][2] * f[i][2];
//// dtf = BIG;
//// if (fsq > 0.0)
//// dtf = sqrt(2.0 * xmax / (sqrt(fsq) * massinv));
//// dtmin = MIN(dtmin, dtf);
// }
// }
dtmin
*=
safety_factor
;
// apply safety factor
MPI_Allreduce
(
&
dtmin
,
&
dt
,
1
,
MPI_DOUBLE
,
MPI_MIN
,
world
);
if
(
update
->
ntimestep
==
0
)
{
dt
=
1.0e-16
;
}
//printf("dtmin is now: %f, dt is now%f\n", dtmin, dt);
update
->
dt
=
dt
;
if
(
force
->
pair
)
force
->
pair
->
reset_dt
();
for
(
int
i
=
0
;
i
<
modify
->
nfix
;
i
++
)
modify
->
fix
[
i
]
->
reset_dt
();
}
/* ---------------------------------------------------------------------- */
double
FixSMDTlsphDtReset
::
compute_scalar
()
{
return
t_elapsed
;
}
/* ----------------------------------------------------------------------
pack entire state of Fix into one write
------------------------------------------------------------------------- */
void
FixSMDTlsphDtReset
::
write_restart
(
FILE
*
fp
)
{
int
n
=
0
;
double
list
[
1
];
list
[
n
++
]
=
t_elapsed
;
if
(
comm
->
me
==
0
)
{
int
size
=
n
*
sizeof
(
double
);
fwrite
(
&
size
,
sizeof
(
int
),
1
,
fp
);
fwrite
(
list
,
sizeof
(
double
),
n
,
fp
);
}
}
/* ----------------------------------------------------------------------
use state info from restart file to restart the Fix
------------------------------------------------------------------------- */
void
FixSMDTlsphDtReset
::
restart
(
char
*
buf
)
{
int
n
=
0
;
double
*
list
=
(
double
*
)
buf
;
t_elapsed
=
list
[
n
++
];
}
Event Timeline
Log In to Comment