jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7422 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-01-06 17:07:51 +00:00
parent 19ee529faf
commit a242911efd
2 changed files with 18 additions and 18 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

30
lib/gpu/lal_ellipsoid_extra.h
View File

@ -194,7 +194,7 @@ enum{SPHERE_SPHERE,SPHERE_ELLIPSE,ELLIPSE_SPHERE,ELLIPSE_ELLIPSE};
ucl_inline numtyp gpu_dot3(const numtyp *v1, const numtyp *v2)
{
return v1[0]*v2[0]+v1[1]*v2[1]+v1[2]*v2[2];
}
};
/* ----------------------------------------------------------------------
cross product of 2 vectors
@ -205,7 +205,7 @@ ucl_inline void gpu_cross3(const numtyp *v1, const numtyp *v2, numtyp *ans)
ans[0] = v1[1]*v2[2]-v1[2]*v2[1];
ans[1] = v1[2]*v2[0]-v1[0]*v2[2];
ans[2] = v1[0]*v2[1]-v1[1]*v2[0];
}
};
/* ----------------------------------------------------------------------
determinant of a matrix
@ -217,7 +217,7 @@ ucl_inline numtyp gpu_det3(const numtyp m[9])
m[3]*m[1]*m[8] + m[3]*m[2]*m[7] +
m[6]*m[1]*m[5] - m[6]*m[2]*m[4];
return ans;
}
};
/* ----------------------------------------------------------------------
diagonal matrix times a full matrix
@ -235,7 +235,7 @@ ucl_inline void gpu_diag_times3(const numtyp4 shape, const numtyp m[9],
ans[6] = shape.z*m[6];
ans[7] = shape.z*m[7];
ans[8] = shape.z*m[8];
}
};
/* ----------------------------------------------------------------------
add two matrices
@ -252,7 +252,7 @@ ucl_inline void gpu_plus3(const numtyp m[9], const numtyp m2[9], numtyp ans[9])
ans[6] = m[6]+m2[6];
ans[7] = m[7]+m2[7];
ans[8] = m[8]+m2[8];
}
};
/* ----------------------------------------------------------------------
multiply the transpose of mat1 times mat2
@ -270,7 +270,7 @@ ucl_inline void gpu_transpose_times3(const numtyp m[9], const numtyp m2[9],
ans[6] = m[2]*m2[0]+m[5]*m2[3]+m[8]*m2[6];
ans[7] = m[2]*m2[1]+m[5]*m2[4]+m[8]*m2[7];
ans[8] = m[2]*m2[2]+m[5]*m2[5]+m[8]*m2[8];
}
};
/* ----------------------------------------------------------------------
row vector times matrix
@ -281,7 +281,7 @@ ucl_inline void gpu_row_times3(const numtyp *v, const numtyp m[9], numtyp *ans)
ans[0] = m[0]*v[0]+v[1]*m[3]+v[2]*m[6];
ans[1] = v[0]*m[1]+m[4]*v[1]+v[2]*m[7];
ans[2] = v[0]*m[2]+v[1]*m[5]+m[8]*v[2];
}
};
/* ----------------------------------------------------------------------
solve Ax = b or M ans = v
@ -401,7 +401,7 @@ ucl_inline void gpu_mldivide3(const numtyp m[9], const numtyp *v, numtyp *ans,
t += aug[1]*ans[1];
t += aug[2]*ans[2];
ans[0] = (aug[3]-t) / aug[0];
}
};
/* ----------------------------------------------------------------------
compute rotation matrix from quaternion conjugate
@ -435,7 +435,7 @@ ucl_inline void gpu_quat_to_mat_trans(__global const numtyp4 *qif, const int qi,
mat[2] = twoik-twojw;
mat[5] = twojk+twoiw;
mat[8] = w2-i2-j2+k2;
}
};
/* ----------------------------------------------------------------------
transposed matrix times diagonal matrix
@ -453,7 +453,7 @@ ucl_inline void gpu_transpose_times_diag3(const numtyp m[9],
ans[6] = m[2]*d.x;
ans[7] = m[5]*d.y;
ans[8] = m[8]*d.z;
}
};
/* ----------------------------------------------------------------------
multiply mat1 times mat2
@ -471,7 +471,7 @@ ucl_inline void gpu_times3(const numtyp m[9], const numtyp m2[9],
ans[6] = m[6]*m2[0] + m[7]*m2[3] + m[8]*m2[6];
ans[7] = m[6]*m2[1] + m[7]*m2[4] + m[8]*m2[7];
ans[8] = m[6]*m2[2] + m[7]*m2[5] + m[8]*m2[8];
}
};
/* ----------------------------------------------------------------------
Apply principal rotation generator about x to rotation matrix m
@ -488,7 +488,7 @@ ucl_inline void gpu_rotation_generator_x(const numtyp m[9], numtyp ans[9])
ans[6] = 0;
ans[7] = -m[8];
ans[8] = m[7];
}
};
/* ----------------------------------------------------------------------
Apply principal rotation generator about y to rotation matrix m
@ -505,7 +505,7 @@ ucl_inline void gpu_rotation_generator_y(const numtyp m[9], numtyp ans[9])
ans[6] = m[8];
ans[7] = 0;
ans[8] = -m[6];
}
};
/* ----------------------------------------------------------------------
Apply principal rotation generator about z to rotation matrix m
@ -522,7 +522,7 @@ ucl_inline void gpu_rotation_generator_z(const numtyp m[9], numtyp ans[9])
ans[6] = -m[7];
ans[7] = m[6];
ans[8] = 0;
}
};
/* ----------------------------------------------------------------------
matrix times vector
@ -534,6 +534,6 @@ ucl_inline void gpu_times_column3(const numtyp m[9], const numtyp v[3],
ans[0] = m[0]*v[0] + m[1]*v[1] + m[2]*v[2];
ans[1] = m[3]*v[0] + m[4]*v[1] + m[5]*v[2];
ans[2] = m[6]*v[0] + m[7]*v[1] + m[8]*v[2];
}
};
#endif

6
lib/gpu/lal_preprocessor.h
View File

@ -116,8 +116,8 @@
#define MAX_BIO_SHARED_TYPES 128
#ifdef _DOUBLE_DOUBLE
ucl_inline double4 fetch_pos(const int& i, const double4 *pos) { return pos[i]; }
ucl_inline double fetch_q(const int& i, const double *q) { return q[i]; }
ucl_inline double4 fetch_pos(const int& i, const double4 *pos) { return pos[i]; };
ucl_inline double fetch_q(const int& i, const double *q) { return q[i]; };
#endif
#if (__CUDA_ARCH__ < 200)
@ -344,5 +344,5 @@ typedef struct _double4 double4;
#define SBBITS 30
#define NEIGHMASK 0x3FFFFFFF
ucl_inline int sbmask(int j) { return j >> SBBITS & 3; }
ucl_inline int sbmask(int j) { return j >> SBBITS & 3; };