From b51dcc7090a3f1d44286875ee1bfec0599290605 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Tue, 23 May 2017 09:15:55 +0200
Subject: [PATCH] Fixed small bug in Q6 + LOCAL_AVERAGE + DUMPMULTICOLVAR
---
CHANGES/v2.3.txt | 1 +
src/multicolvar/LocalAverage.cpp | 2 ++
2 files changed, 3 insertions(+)
diff --git a/CHANGES/v2.3.txt b/CHANGES/v2.3.txt
index 6112922ae..2f218a435 100644
--- a/CHANGES/v2.3.txt
+++ b/CHANGES/v2.3.txt
@@ -170,6 +170,7 @@ See branch \branch{v2.3} on git repository.
domain not symmetric around zero. See \issue{235} (thanks to Summer Snow for reporting this bug).
- Fixed numerical issue leading to simulations stuck (LatticeReduction problem) with intel compiler and
large simulation cells.
+- Fixed a bug affecting \ref LOCAL_AVERAGE and outputting all multicolvars calculated by \ref Q6 with \ref DUMPMULTICOLVAR
For developers:
- plumedcheck validation has been made stricter. All the checks are now described in the developer manual.
diff --git a/src/multicolvar/LocalAverage.cpp b/src/multicolvar/LocalAverage.cpp
index 1671f06b5..92dd58d2b 100644
--- a/src/multicolvar/LocalAverage.cpp
+++ b/src/multicolvar/LocalAverage.cpp
@@ -93,6 +93,8 @@ public:
unsigned getNumberOfQuantities() const ;
/// Actually do the calculation
double compute( const unsigned& tindex, AtomValuePack& myatoms ) const ;
+/// We overwrite this in order to have dumpmulticolvar working for local average
+ void normalizeVector( std::vector<double>& vals ) const {}
/// Is the variable periodic
bool isPeriodic() { return false; }
};
--
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