Debugging some compute property items, allow surface shifting inward
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@ -351,7 +351,6 @@ void FixRHEO::initial_integrate(int /*vflag*/)
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// Shifting atoms
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if (shift_flag) {
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compute_vshift->correct_surfaces(); // Could this be moved to preforce after the surface fix runs?
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for (i = 0; i < nlocal; i++) {
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if (status[i] & STATUS_NO_SHIFT) continue;
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@ -407,6 +406,9 @@ void FixRHEO::pre_force(int /*vflag*/)
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// Calculate surfaces, update status
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if (surface_flag) compute_surface->compute_peratom();
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if (shift_flag)
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compute_vshift->correct_surfaces();
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}
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/* ---------------------------------------------------------------------- */
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