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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14441 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-01-14 22:35:15 +00:00
parent 09fb68df71
commit 5bba67f290
2 changed files with 10 additions and 8 deletions
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2
src/fix_move.cpp
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@ -714,7 +714,7 @@ void FixMove::initial_integrate(int vflag)
MathExtra::quatquat(qrotate,qoriginal[i],quat); MathExtra::quatquat(qrotate,qoriginal[i],quat);
} }
} }
} }
domain->remap_near(x[i],xold); domain->remap_near(x[i],xold);
} }

16
src/math_extra.h
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@ -278,7 +278,7 @@ inline double MathExtra::det3(const double m[3][3])
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
inline void MathExtra::diag_times3(const double *d, const double m[3][3], inline void MathExtra::diag_times3(const double *d, const double m[3][3],
double ans[3][3]) double ans[3][3])
{ {
ans[0][0] = d[0]*m[0][0]; ans[0][0] = d[0]*m[0][0];
ans[0][1] = d[0]*m[0][1]; ans[0][1] = d[0]*m[0][1];
@ -407,7 +407,8 @@ inline void MathExtra::invert3(const double m[3][3], double ans[3][3])
matrix times vector matrix times vector
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
inline void MathExtra::matvec(const double m[3][3], const double *v, double *ans) inline void MathExtra::matvec(const double m[3][3], const double *v,
double *ans)
{ {
ans[0] = m[0][0]*v[0] + m[0][1]*v[1] + m[0][2]*v[2]; ans[0] = m[0][0]*v[0] + m[0][1]*v[1] + m[0][2]*v[2];
ans[1] = m[1][0]*v[0] + m[1][1]*v[1] + m[1][2]*v[2]; ans[1] = m[1][0]*v[0] + m[1][1]*v[1] + m[1][2]*v[2];
@ -418,8 +419,8 @@ inline void MathExtra::matvec(const double m[3][3], const double *v, double *ans
matrix times vector matrix times vector
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
inline void MathExtra::matvec(const double *ex, const double *ey, const double *ez, inline void MathExtra::matvec(const double *ex, const double *ey,
const double *v, double *ans) const double *ez, const double *v, double *ans)
{ {
ans[0] = ex[0]*v[0] + ey[0]*v[1] + ez[0]*v[2]; ans[0] = ex[0]*v[0] + ey[0]*v[1] + ez[0]*v[2];
ans[1] = ex[1]*v[0] + ey[1]*v[1] + ez[1]*v[2]; ans[1] = ex[1]*v[0] + ey[1]*v[1] + ez[1]*v[2];
@ -473,7 +474,8 @@ inline void MathExtra::transpose_diag3(const double m[3][3], const double *d,
row vector times matrix row vector times matrix
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
inline void MathExtra::vecmat(const double *v, const double m[3][3], double *ans) inline void MathExtra::vecmat(const double *v, const double m[3][3],
double *ans)
{ {
ans[0] = v[0]*m[0][0] + v[1]*m[1][0] + v[2]*m[2][0]; ans[0] = v[0]*m[0][0] + v[1]*m[1][0] + v[2]*m[2][0];
ans[1] = v[0]*m[0][1] + v[1]*m[1][1] + v[2]*m[2][1]; ans[1] = v[0]*m[0][1] + v[1]*m[1][1] + v[2]*m[2][1];
@ -496,8 +498,8 @@ inline void MathExtra::scalar_times3(const double f, double m[3][3])
upper-triangular 3x3, stored as 6-vector in Voigt notation upper-triangular 3x3, stored as 6-vector in Voigt notation
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
inline void MathExtra::multiply_shape_shape(const double *one, const double *two, inline void MathExtra::multiply_shape_shape(const double *one,
double *ans) const double *two, double *ans)
{ {
ans[0] = one[0]*two[0]; ans[0] = one[0]*two[0];
ans[1] = one[1]*two[1]; ans[1] = one[1]*two[1];