From 795f24c3fffa443f2e626c96dffb9a1729169301 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 8 Mar 2022 05:07:57 -0500 Subject: [PATCH] honor NEWTON_ON/OFF request flags --- src/neigh_request.cpp | 12 +++++++----- src/neigh_request.h | 2 +- 2 files changed, 8 insertions(+), 6 deletions(-) diff --git a/src/neigh_request.cpp b/src/neigh_request.cpp index 947d1383a6..eeb10f78d4 100644 --- a/src/neigh_request.cpp +++ b/src/neigh_request.cpp @@ -268,6 +268,8 @@ void NeighRequest::apply_flags(int flags) if (flags & REQ_GHOST) { ghost = 1; } if (flags & REQ_SIZE) { size = 1; } if (flags & REQ_HISTORY) { history = 1; } + if (flags & REQ_NEWTON_ON) { newton = 1; } + if (flags & REQ_NEWTON_OFF) { newton = 2; } if (flags & REQ_OCCASIONAL) { occasional = 1; } if (flags & REQ_RESPA_INOUT) { respainner = respaouter = 1; } if (flags & REQ_RESPA_ALL) { respainner = respamiddle = respaouter = 1; } @@ -276,17 +278,17 @@ void NeighRequest::apply_flags(int flags) /* ---------------------------------------------------------------------- */ -void NeighRequest::set_id(int _id) -{ - id = _id; -} - void NeighRequest::set_cutoff(double _cutoff) { cut = 1; cutoff = _cutoff; } +void NeighRequest::set_id(int _id) +{ + id = _id; +} + void NeighRequest::set_kokkos_device(int flag) { kokkos_device = flag; diff --git a/src/neigh_request.h b/src/neigh_request.h index 59453c88c8..428b842116 100644 --- a/src/neigh_request.h +++ b/src/neigh_request.h @@ -122,10 +122,10 @@ class NeighRequest : protected Pointers { void copy_request(NeighRequest *, int); void apply_flags(int); + void set_cutoff(double); void set_id(int); void set_kokkos_device(int); void set_kokkos_host(int); - void set_cutoff(double); void set_skip(int *, int **); int get_size() const { return size; }