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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7397 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-01-03 21:57:21 +00:00
parent 4dfba8a7d4
commit 22e3df9858
3 changed files with 11 additions and 10 deletions
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3
src/compute_coord_atom.cpp
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@ -60,7 +60,8 @@ void ComputeCoordAtom::init()
if (force->pair == NULL) if (force->pair == NULL)
error->all(FLERR,"Compute coord/atom requires a pair style be defined"); error->all(FLERR,"Compute coord/atom requires a pair style be defined");
if (sqrt(cutsq) > force->pair->cutforce) if (sqrt(cutsq) > force->pair->cutforce)
error->all(FLERR,"Compute coord/atom cutoff is longer than pairwise cutoff"); error->all(FLERR,
"Compute coord/atom cutoff is longer than pairwise cutoff");
// need an occasional full neighbor list // need an occasional full neighbor list

16
src/dump_image.cpp
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@ -802,7 +802,7 @@ void DumpImage::create_image()
axes[0][0] = boxxlo; axes[0][1] = boxylo; axes[0][2] = boxzlo; axes[0][0] = boxxlo; axes[0][1] = boxylo; axes[0][2] = boxzlo;
axes[1][0] = boxxhi; axes[1][1] = boxylo; axes[1][2] = boxzlo; axes[1][0] = boxxhi; axes[1][1] = boxylo; axes[1][2] = boxzlo;
axes[2][0] = boxxlo; axes[2][1] = boxyhi; axes[2][2] = boxzlo; axes[2][0] = boxxlo; axes[2][1] = boxyhi; axes[2][2] = boxzlo;
axes[4][0] = boxxlo; axes[4][1] = boxylo; axes[4][2] = boxzhi; axes[3][0] = boxxlo; axes[3][1] = boxylo; axes[3][2] = boxzhi;
} else { } else {
domain->box_corners(); domain->box_corners();
boxcorners = domain->corners; boxcorners = domain->corners;
@ -815,9 +815,9 @@ void DumpImage::create_image()
axes[2][0] = boxcorners[2][0]; axes[2][0] = boxcorners[2][0];
axes[2][1] = boxcorners[2][1]; axes[2][1] = boxcorners[2][1];
axes[2][2] = boxcorners[2][2]; axes[2][2] = boxcorners[2][2];
axes[4][0] = boxcorners[4][0]; axes[3][0] = boxcorners[4][0];
axes[4][1] = boxcorners[4][1]; axes[3][1] = boxcorners[4][1];
axes[4][2] = boxcorners[4][2]; axes[3][2] = boxcorners[4][2];
} }
double offset = MAX(boxxhi-boxxlo,boxyhi-boxylo); double offset = MAX(boxxhi-boxxlo,boxyhi-boxylo);
@ -826,7 +826,7 @@ void DumpImage::create_image()
axes[0][0] -= offset; axes[0][1] -= offset; axes[0][2] -= offset; axes[0][0] -= offset; axes[0][1] -= offset; axes[0][2] -= offset;
axes[1][0] -= offset; axes[1][1] -= offset; axes[1][2] -= offset; axes[1][0] -= offset; axes[1][1] -= offset; axes[1][2] -= offset;
axes[2][0] -= offset; axes[2][1] -= offset; axes[2][2] -= offset; axes[2][0] -= offset; axes[2][1] -= offset; axes[2][2] -= offset;
axes[4][0] -= offset; axes[4][1] -= offset; axes[4][2] -= offset; axes[3][0] -= offset; axes[3][1] -= offset; axes[3][2] -= offset;
axes[1][0] = axes[0][0] + axeslen*(axes[1][0]-axes[0][0]); axes[1][0] = axes[0][0] + axeslen*(axes[1][0]-axes[0][0]);
axes[1][1] = axes[0][1] + axeslen*(axes[1][1]-axes[0][1]); axes[1][1] = axes[0][1] + axeslen*(axes[1][1]-axes[0][1]);
@ -834,9 +834,9 @@ void DumpImage::create_image()
axes[2][0] = axes[0][0] + axeslen*(axes[2][0]-axes[0][0]); axes[2][0] = axes[0][0] + axeslen*(axes[2][0]-axes[0][0]);
axes[2][1] = axes[0][1] + axeslen*(axes[2][1]-axes[0][1]); axes[2][1] = axes[0][1] + axeslen*(axes[2][1]-axes[0][1]);
axes[2][2] = axes[0][2] + axeslen*(axes[2][2]-axes[0][2]); axes[2][2] = axes[0][2] + axeslen*(axes[2][2]-axes[0][2]);
axes[4][0] = axes[0][0] + axeslen*(axes[4][0]-axes[0][0]); axes[3][0] = axes[0][0] + axeslen*(axes[3][0]-axes[0][0]);
axes[4][1] = axes[0][1] + axeslen*(axes[4][1]-axes[0][1]); axes[3][1] = axes[0][1] + axeslen*(axes[3][1]-axes[0][1]);
axes[4][2] = axes[0][2] + axeslen*(axes[4][2]-axes[0][2]); axes[3][2] = axes[0][2] + axeslen*(axes[3][2]-axes[0][2]);
image->draw_axes(axes,diameter); image->draw_axes(axes,diameter);
} }

2
src/image.cpp
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@ -414,7 +414,7 @@ void Image::draw_axes(double (*axes)[3], double diameter)
{ {
draw_cylinder(axes[0],axes[1],color2rgb("red"),diameter,3); draw_cylinder(axes[0],axes[1],color2rgb("red"),diameter,3);
draw_cylinder(axes[0],axes[2],color2rgb("green"),diameter,3); draw_cylinder(axes[0],axes[2],color2rgb("green"),diameter,3);
draw_cylinder(axes[0],axes[4],color2rgb("blue"),diameter,3); draw_cylinder(axes[0],axes[3],color2rgb("blue"),diameter,3);
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------