From 9ad12565bb5a9e5cd250c24406e63a22868315a9 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Mon, 15 Sep 2014 07:54:10 +0200
Subject: [PATCH] Fixed std::floor
std::floor should only be used with double. With int it makes no sense
and do not compile on blue gene
---
src/multicolvar/MultiColvar.cpp | 4 ++--
src/multicolvar/MultiColvarBase.cpp | 2 +-
src/multicolvar/MultiColvarFunction.cpp | 2 +-
3 files changed, 4 insertions(+), 4 deletions(-)
diff --git a/src/multicolvar/MultiColvar.cpp b/src/multicolvar/MultiColvar.cpp
index b47f270a3..67c225281 100644
--- a/src/multicolvar/MultiColvar.cpp
+++ b/src/multicolvar/MultiColvar.cpp
@@ -354,9 +354,9 @@ void MultiColvar::threeBodyNeighborList( const SwitchingFunction& sf ){
if( w<getNLTolerance() ){
// Deactivate all tasks involving i and j
for(unsigned k=0;k<getCurrentNumberOfActiveTasks();++k){
- unsigned ind=std::floor( getActiveTask(k) / decoder[0] );
+ unsigned ind=( getActiveTask(k) / decoder[0] );
if( ind!=i ) continue;
- unsigned ind2=std::floor( (getActiveTask(k) - ind*decoder[0]) / decoder[1] );
+ unsigned ind2=( (getActiveTask(k) - ind*decoder[0]) / decoder[1] );
if( ind2!=j ) continue;
inactive_tasks[k] = 1;
}
diff --git a/src/multicolvar/MultiColvarBase.cpp b/src/multicolvar/MultiColvarBase.cpp
index 1955ac217..95d3d80f7 100644
--- a/src/multicolvar/MultiColvarBase.cpp
+++ b/src/multicolvar/MultiColvarBase.cpp
@@ -182,7 +182,7 @@ bool MultiColvarBase::setupCurrentAtomList( const unsigned& taskCode ){
natomsper=current_atoms.size();
unsigned scode = taskCode;
for(unsigned i=0;i<ablocks.size();++i){
- unsigned ind=std::floor( scode / decoder[i] );
+ unsigned ind=( scode / decoder[i] );
current_atoms[i]=getBaseQuantityIndex( ablocks[i][ind] );
scode -= ind*decoder[i];
}
diff --git a/src/multicolvar/MultiColvarFunction.cpp b/src/multicolvar/MultiColvarFunction.cpp
index aa99f284c..3367e012b 100644
--- a/src/multicolvar/MultiColvarFunction.cpp
+++ b/src/multicolvar/MultiColvarFunction.cpp
@@ -234,7 +234,7 @@ void MultiColvarFunction::addStoredDerivative( const unsigned& jout, const unsig
unsigned jindex = offset + base_index;
plumed_dbg_assert( jindex<3*getNumberOfAtoms() );
addElementDerivative( jout*getNumberOfDerivatives() + jindex, der );
- unsigned iatom = std::floor( jindex / 3 );
+ unsigned iatom = ( jindex / 3 );
atoms_with_derivatives.activate( iatom );
}
}
--
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