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manifold_dumbbell.cpp
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Created
Tue, Oct 15, 20:52
Size
971 B
Mime Type
text/x-c
Expires
Thu, Oct 17, 20:52 (1 d, 23 h)
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blob
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Raw Data
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21686266
Attached To
rLAMMPS lammps
manifold_dumbbell.cpp
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#include "manifold_dumbbell.h"
#include <math.h>
using
namespace
LAMMPS_NS
;
using
namespace
user_manifold
;
manifold_dumbbell
::
manifold_dumbbell
(
LAMMPS
*
lmp
,
int
argc
,
char
**
argv
)
:
manifold
(
lmp
)
{}
/*
* Equation for dumbbell is:
*
* -x^2 - y^2 + (a^2 - (z/c)^2)*( 1 + A*sin(const(z) *z^2) )^4
* const(z) = (z < 0) ? B2 : B
* params[4] = { a, A, B, c }
*/
double
manifold_dumbbell
::
g
(
const
double
*
x
)
{
double
a
=
params
[
0
];
double
A
=
params
[
1
];
double
B
=
params
[
2
];
double
c
=
params
[
3
];
return
-
1.0
*
(
x
[
0
]
*
x
[
0
]
+
x
[
1
]
*
x
[
1
])
+
(
a
*
a
-
x
[
2
]
*
x
[
2
]
/
(
c
*
c
))
*
(
1.0
+
pow
(
A
*
sin
(
B
*
x
[
2
]
*
x
[
2
]),
4
));
}
void
manifold_dumbbell
::
n
(
const
double
*
x
,
double
*
nn
)
{
double
a
=
params
[
0
];
double
A
=
params
[
1
];
double
B
=
params
[
2
];
double
c
=
params
[
3
];
nn
[
0
]
=
-
2.0
*
x
[
0
];
nn
[
1
]
=
-
2.0
*
x
[
1
];
nn
[
2
]
=
8.0
*
A
*
A
*
A
*
A
*
B
*
x
[
2
]
*
(
a
*
a
-
(
x
[
2
]
*
x
[
2
]
/
(
c
*
c
)))
*
cos
(
B
*
x
[
2
]
*
x
[
2
])
*
pow
(
sin
(
B
*
x
[
2
]
*
x
[
2
]),
3
)
-
2
*
x
[
2
]
*
(
1
+
pow
(
A
*
sin
(
B
*
x
[
2
]
*
x
[
2
]),
4
))
/
(
c
*
c
);
}
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