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manifold_spine.cpp
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Fri, Aug 30, 16:05
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2 KB
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text/x-c
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Sun, Sep 1, 16:05 (1 d, 23 h)
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20232900
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rLAMMPS lammps
manifold_spine.cpp
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#include "manifold_spine.h"
#include <math.h>
#include "math_special.h"
using
namespace
LAMMPS_NS
;
using
namespace
user_manifold
;
manifold_spine
::
manifold_spine
(
LAMMPS
*
lmp
,
int
argc
,
char
**
argv
)
:
manifold
(
lmp
)
{
power
=
4
;
}
manifold_spine_two
::
manifold_spine_two
(
LAMMPS
*
lmp
,
int
narg
,
char
**
argv
)
:
manifold_spine
(
lmp
,
narg
,
argv
)
{
power
=
2
;
}
/*
* Equation for spine 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[5] = { a, A, B, B2, c }
*/
double
manifold_spine
::
g_and_n
(
const
double
*
x
,
double
*
nn
)
{
double
a
=
params
[
0
];
double
A
=
params
[
1
];
double
B
=
params
[
2
];
double
B2
=
params
[
3
];
double
c
=
params
[
4
];
double
cc
,
BB
,
z2
,
xy2
;
double
c2
,
As
,
Ac
,
azc
,
Apart
;
double
AMs
,
AMc
;
double
dazc
,
dAMs
;
if
(
x
[
2
]
>
0
){
BB
=
B
;
cc
=
c
;
}
else
{
BB
=
B2
;
cc
=
1.0
;
}
xy2
=
x
[
0
]
*
x
[
0
]
+
x
[
1
]
*
x
[
1
];
z2
=
x
[
2
]
*
x
[
2
];
c2
=
1.0
/
(
cc
*
cc
);
azc
=
a
*
a
-
z2
*
c2
;
As
=
sin
(
BB
*
z2
);
Ac
=
cos
(
BB
*
z2
);
As
*=
A
;
Ac
*=
A
;
Apart
=
MathSpecial
::
powint
(
As
,
power
-
1
);
// Much more efficient! =D
//Apart = pow( As, power-1 );
AMs
=
Apart
*
As
;
AMc
=
Apart
*
Ac
;
dAMs
=
power
*
AMc
*
2.0
*
BB
*
x
[
2
];
dazc
=
-
2.0
*
x
[
2
]
*
c2
;
nn
[
0
]
=
-
2
*
x
[
0
];
nn
[
1
]
=
-
2
*
x
[
1
];
nn
[
2
]
=
azc
*
dAMs
+
(
1.0
+
AMs
)
*
dazc
;
return
-
xy2
+
azc
*
(
1.0
+
AMs
);
}
void
manifold_spine
::
n
(
const
double
*
x
,
double
*
nn
)
{
double
a
=
params
[
0
];
double
A
=
params
[
1
];
double
B
=
params
[
2
];
double
B2
=
params
[
3
];
double
c
=
params
[
4
];
double
cc
,
BB
,
z2
;
double
c2
,
As
,
Ac
,
azc
,
Apart
;
double
AMs
,
AMc
;
double
dazc
,
dAMs
;
if
(
x
[
2
]
>
0
){
BB
=
B
;
cc
=
c
;
}
else
{
BB
=
B2
;
cc
=
1.0
;
}
z2
=
x
[
2
]
*
x
[
2
];
c2
=
1.0
/
(
cc
*
cc
);
azc
=
a
*
a
-
z2
*
c2
;
As
=
sin
(
BB
*
z2
);
Ac
=
cos
(
BB
*
z2
);
As
*=
A
;
Ac
*=
A
;
Apart
=
MathSpecial
::
powint
(
As
,
power
-
1
);
// Much more efficient! =D
//Apart = pow( As, power-1 );
AMs
=
Apart
*
As
;
AMc
=
Apart
*
Ac
;
dAMs
=
power
*
AMc
*
2.0
*
BB
*
x
[
2
];
dazc
=
-
2.0
*
x
[
2
]
*
c2
;
nn
[
0
]
=
-
2
*
x
[
0
];
nn
[
1
]
=
-
2
*
x
[
1
];
nn
[
2
]
=
azc
*
dAMs
+
(
1.0
+
AMs
)
*
dazc
;
}
double
manifold_spine
::
g
(
const
double
*
x
)
{
double
a
=
params
[
0
];
double
A
=
params
[
1
];
double
B
=
params
[
2
];
double
B2
=
params
[
3
];
double
c
=
params
[
4
];
double
cc
,
BB
,
z2
,
xy2
;
double
c2
,
As
,
azc
,
Apart
;
double
AMs
;
if
(
x
[
2
]
>
0
){
BB
=
B
;
cc
=
c
;
}
else
{
BB
=
B2
;
cc
=
1.0
;
}
xy2
=
x
[
0
]
*
x
[
0
]
+
x
[
1
]
*
x
[
1
];
z2
=
x
[
2
]
*
x
[
2
];
c2
=
1.0
/
(
cc
*
cc
);
azc
=
a
*
a
-
z2
*
c2
;
As
=
sin
(
BB
*
z2
);
As
*=
A
;
Apart
=
MathSpecial
::
powint
(
As
,
power
-
1
);
AMs
=
Apart
*
As
;
return
-
xy2
+
azc
*
(
1.0
+
AMs
);
}
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