From f0681f7e127837f8cb2d033eb180d90f6d4717b3 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 20 Apr 2017 14:42:01 -0400
Subject: [PATCH] add support for USER-TALLY to pair styles hybrid and
hybrid/overlay
---
src/pair.h | 4 ++--
src/pair_hybrid.cpp | 17 +++++++++++++++++
src/pair_hybrid.h | 3 +++
3 files changed, 22 insertions(+), 2 deletions(-)
diff --git a/src/pair.h b/src/pair.h
index 3f66c6095a..dd859e5f2a 100644
--- a/src/pair.h
+++ b/src/pair.h
@@ -194,8 +194,8 @@ class Pair : protected Pointers {
int num_tally_compute;
class Compute **list_tally_compute;
public:
- void add_tally_callback(class Compute *);
- void del_tally_callback(class Compute *);
+ virtual void add_tally_callback(class Compute *);
+ virtual void del_tally_callback(class Compute *);
protected:
int instance_me; // which Pair class instantiation I am
diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp
index 03e55006fc..e327066183 100644
--- a/src/pair_hybrid.cpp
+++ b/src/pair_hybrid.cpp
@@ -169,6 +169,23 @@ void PairHybrid::compute(int eflag, int vflag)
if (vflag_fdotr) virial_fdotr_compute();
}
+
+/* ---------------------------------------------------------------------- */
+
+void PairHybrid::add_tally_callback(Compute *ptr)
+{
+ for (int m = 0; m < nstyles; m++)
+ styles[m]->add_tally_callback(ptr);
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairHybrid::del_tally_callback(Compute *ptr)
+{
+ for (int m = 0; m < nstyles; m++)
+ styles[m]->del_tally_callback(ptr);
+}
+
/* ---------------------------------------------------------------------- */
void PairHybrid::compute_inner()
diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h
index e3de3b022a..8fd0b9e4e0 100644
--- a/src/pair_hybrid.h
+++ b/src/pair_hybrid.h
@@ -55,6 +55,9 @@ class PairHybrid : public Pair {
int check_ijtype(int, int, char *);
+ virtual void add_tally_callback(class Compute *);
+ virtual void del_tally_callback(class Compute *);
+
protected:
int nstyles; // # of sub-styles
Pair **styles; // list of Pair style classes
--
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