honor NEWTON_ON/OFF request flags
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@ -268,6 +268,8 @@ void NeighRequest::apply_flags(int flags)
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if (flags & REQ_GHOST) { ghost = 1; }
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if (flags & REQ_GHOST) { ghost = 1; }
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if (flags & REQ_SIZE) { size = 1; }
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if (flags & REQ_SIZE) { size = 1; }
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if (flags & REQ_HISTORY) { history = 1; }
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if (flags & REQ_HISTORY) { history = 1; }
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if (flags & REQ_NEWTON_ON) { newton = 1; }
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if (flags & REQ_NEWTON_OFF) { newton = 2; }
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if (flags & REQ_OCCASIONAL) { occasional = 1; }
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if (flags & REQ_OCCASIONAL) { occasional = 1; }
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if (flags & REQ_RESPA_INOUT) { respainner = respaouter = 1; }
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if (flags & REQ_RESPA_INOUT) { respainner = respaouter = 1; }
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if (flags & REQ_RESPA_ALL) { respainner = respamiddle = respaouter = 1; }
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if (flags & REQ_RESPA_ALL) { respainner = respamiddle = respaouter = 1; }
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@ -276,17 +278,17 @@ void NeighRequest::apply_flags(int flags)
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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void NeighRequest::set_id(int _id)
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{
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id = _id;
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}
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void NeighRequest::set_cutoff(double _cutoff)
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void NeighRequest::set_cutoff(double _cutoff)
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{
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{
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cut = 1;
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cut = 1;
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cutoff = _cutoff;
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cutoff = _cutoff;
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}
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}
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void NeighRequest::set_id(int _id)
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{
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id = _id;
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}
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void NeighRequest::set_kokkos_device(int flag)
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void NeighRequest::set_kokkos_device(int flag)
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{
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{
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kokkos_device = flag;
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kokkos_device = flag;
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@ -122,10 +122,10 @@ class NeighRequest : protected Pointers {
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void copy_request(NeighRequest *, int);
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void copy_request(NeighRequest *, int);
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void apply_flags(int);
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void apply_flags(int);
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void set_cutoff(double);
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void set_id(int);
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void set_id(int);
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void set_kokkos_device(int);
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void set_kokkos_device(int);
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void set_kokkos_host(int);
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void set_kokkos_host(int);
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void set_cutoff(double);
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void set_skip(int *, int **);
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void set_skip(int *, int **);
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int get_size() const { return size; }
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int get_size() const { return size; }
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