apply test for overlap with rigid bodies to set and velocity command
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22
src/set.cpp
22
src/set.cpp
@ -585,6 +585,28 @@ void Set::set(int keyword)
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}
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}
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// check if properties of atoms in rigid bodies are updated
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// that are cached as per-body data.
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switch (keyword) {
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case X:
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case Y:
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case Z:
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case MOLECULE:
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case MASS:
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case ANGMOM:
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case SHAPE:
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case DIAMETER:
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case DENSITY:
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case QUAT:
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case IMAGE:
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if (modify->check_rigid_list_overlap(select))
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error->warning(FLERR,"Changing a property of atoms in rigid bodies "
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"that has no effect unless rigid bodies are rebuild");
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break;
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default: // assume no conflict for all other properties
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break;
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}
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// loop over selected atoms
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AtomVecEllipsoid *avec_ellipsoid =
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