From 248e13db957ca8389830585868becb426b0f5e06 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Fri, 26 Jul 2019 12:27:42 +0200
Subject: [PATCH] same as 11bbf717186d66267ef95a3ca929fa83596ceda0
cc: @maxbonomi
---
src/bias/PBMetaD.cpp | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/src/bias/PBMetaD.cpp b/src/bias/PBMetaD.cpp
index 9ac8558b8..0d37798e0 100644
--- a/src/bias/PBMetaD.cpp
+++ b/src/bias/PBMetaD.cpp
@@ -228,7 +228,7 @@ private:
Gaussian(const vector<double> & center,const vector<double> & sigma, double height, bool multivariate):
center(center),sigma(sigma),height(height),multivariate(multivariate),invsigma(sigma) {
// to avoid troubles from zero element in flexible hills
- for(unsigned i=0; i<invsigma.size(); ++i) abs(invsigma[i])>1.e-20?invsigma[i]=1.0/invsigma[i]:0.;
+ for(unsigned i=0; i<invsigma.size(); ++i) if(abs(invsigma[i])>1.e-20) invsigma[i]=1.0/invsigma[i] ; else invsigma[i]=0.0;
}
};
vector<double> sigma0_;
--
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