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Commit fd35f19f authored by Giovanni Bussi's avatar Giovanni Bussi
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Fixed bug introduced in commit a8554

shuffledAtoms was not properly set with particle decomposition
parent c134278e
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...@@ -52,6 +52,7 @@ Atoms::Atoms(PlumedMain&plumed): ...@@ -52,6 +52,7 @@ Atoms::Atoms(PlumedMain&plumed):
forcesHaveBeenSet(0), forcesHaveBeenSet(0),
virialHasBeenSet(false), virialHasBeenSet(false),
massAndChargeOK(false), massAndChargeOK(false),
shuffledAtoms(false),
plumed(plumed), plumed(plumed),
naturalUnits(false), naturalUnits(false),
timestep(0.0), timestep(0.0),
...@@ -335,6 +336,7 @@ void Atoms::setAtomsContiguous(int start){ ...@@ -335,6 +336,7 @@ void Atoms::setAtomsContiguous(int start){
for(unsigned i=0;i<gatindex.size();i++) gatindex[i]=start+i; for(unsigned i=0;i<gatindex.size();i++) gatindex[i]=start+i;
for(unsigned i=0;i<dd.g2l.size();i++) dd.g2l[i]=-1; for(unsigned i=0;i<dd.g2l.size();i++) dd.g2l[i]=-1;
if(dd) for(unsigned i=0;i<gatindex.size();i++) dd.g2l[gatindex[i]]=i; if(dd) for(unsigned i=0;i<gatindex.size();i++) dd.g2l[gatindex[i]]=i;
if(gatindex.size()<natoms) shuffledAtoms=true;
} }
void Atoms::setRealPrecision(int p){ void Atoms::setRealPrecision(int p){
......
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