From 1f6afac2756a8f9d93ac3595b2a829b4cd2ddab4 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Mon, 8 May 2017 19:27:57 +0100
Subject: [PATCH] Ran astyle
---
src/crystallization/CubicHarmonicBase.cpp | 2 +-
src/crystallization/OrientationSphere.cpp | 2 +-
src/crystallization/Steinhardt.cpp | 2 +-
src/multicolvar/CoordinationNumbers.cpp | 4 ++--
src/multicolvar/LocalAverage.cpp | 2 +-
src/multicolvar/MultiColvarBase.cpp | 8 ++++----
6 files changed, 10 insertions(+), 10 deletions(-)
diff --git a/src/crystallization/CubicHarmonicBase.cpp b/src/crystallization/CubicHarmonicBase.cpp
index abec90a18..1f45c537b 100644
--- a/src/crystallization/CubicHarmonicBase.cpp
+++ b/src/crystallization/CubicHarmonicBase.cpp
@@ -103,7 +103,7 @@ double CubicHarmonicBase::compute( const unsigned& tindex, multicolvar::AtomValu
if ( (d2=distance[0]*distance[0])<rcut2 &&
(d2+=distance[1]*distance[1])<rcut2 &&
(d2+=distance[2]*distance[2])<rcut2 &&
- d2>epsilon ){
+ d2>epsilon ) {
double sw = switchingFunction.calculateSqr( d2, dfunc );
diff --git a/src/crystallization/OrientationSphere.cpp b/src/crystallization/OrientationSphere.cpp
index 9d7f6711b..ad9761db8 100644
--- a/src/crystallization/OrientationSphere.cpp
+++ b/src/crystallization/OrientationSphere.cpp
@@ -84,7 +84,7 @@ double OrientationSphere::compute( const unsigned& tindex, multicolvar::AtomValu
if ( (d2=distance[0]*distance[0])<rcut2 &&
(d2+=distance[1]*distance[1])<rcut2 &&
(d2+=distance[2]*distance[2])<rcut2 &&
- d2>epsilon ){
+ d2>epsilon ) {
sw = switchingFunction.calculateSqr( d2, dfunc );
diff --git a/src/crystallization/Steinhardt.cpp b/src/crystallization/Steinhardt.cpp
index 41a3d827d..072adff7f 100644
--- a/src/crystallization/Steinhardt.cpp
+++ b/src/crystallization/Steinhardt.cpp
@@ -82,7 +82,7 @@ void Steinhardt::calculateVector( multicolvar::AtomValuePack& myatoms ) const {
if ( (d2=distance[0]*distance[0])<rcut2 &&
(d2+=distance[1]*distance[1])<rcut2 &&
(d2+=distance[2]*distance[2])<rcut2 &&
- d2>epsilon ){
+ d2>epsilon ) {
dlen = sqrt(d2);
sw = switchingFunction.calculate( dlen, dfunc );
diff --git a/src/multicolvar/CoordinationNumbers.cpp b/src/multicolvar/CoordinationNumbers.cpp
index f22cf8089..6e7165b4d 100644
--- a/src/multicolvar/CoordinationNumbers.cpp
+++ b/src/multicolvar/CoordinationNumbers.cpp
@@ -127,8 +127,8 @@ double CoordinationNumbers::compute( const unsigned& tindex, AtomValuePack& myat
Vector& distance=myatoms.getPosition(i);
if ( (d2=distance[0]*distance[0])<rcut2 &&
(d2+=distance[1]*distance[1])<rcut2 &&
- (d2+=distance[2]*distance[2])<rcut2 &&
- d2>epsilon ){
+ (d2+=distance[2]*distance[2])<rcut2 &&
+ d2>epsilon ) {
sw = switchingFunction.calculateSqr( d2, dfunc );
accumulateSymmetryFunction( 1, i, sw, (dfunc)*distance, (-dfunc)*Tensor(distance,distance), myatoms );
diff --git a/src/multicolvar/LocalAverage.cpp b/src/multicolvar/LocalAverage.cpp
index 4aed64e66..1671f06b5 100644
--- a/src/multicolvar/LocalAverage.cpp
+++ b/src/multicolvar/LocalAverage.cpp
@@ -184,7 +184,7 @@ double LocalAverage::compute( const unsigned& tindex, AtomValuePack& myatoms ) c
if ( (d2=distance[0]*distance[0])<rcut2 &&
(d2+=distance[1]*distance[1])<rcut2 &&
(d2+=distance[2]*distance[2])<rcut2 &&
- d2>epsilon) {
+ d2>epsilon) {
sw = switchingFunction.calculateSqr( d2, dfunc );
diff --git a/src/multicolvar/MultiColvarBase.cpp b/src/multicolvar/MultiColvarBase.cpp
index 8bbffdaf0..987eb1532 100644
--- a/src/multicolvar/MultiColvarBase.cpp
+++ b/src/multicolvar/MultiColvarBase.cpp
@@ -376,13 +376,13 @@ void MultiColvarBase::setupMultiColvarBase( const std::vector<AtomNumber>& atoms
bool found=false; unsigned inum;
for(unsigned j=0; j<nat1; ++j) {
if( atom_lab[nat1+i].first>0 && atom_lab[j].first>0 ) {
- if( atom_lab[nat1+i].first==atom_lab[j].first &&
+ if( atom_lab[nat1+i].first==atom_lab[j].first &&
mybasemulticolvars[atom_lab[nat1+i].first-1]->getAbsoluteIndexOfCentralAtom(atom_lab[nat1+i].second)==
mybasemulticolvars[atom_lab[j].first-1]->getAbsoluteIndexOfCentralAtom(atom_lab[j].second) ) { found=true; inum=j; break; }
- } else if( atom_lab[nat1+i].first>0 ){
+ } else if( atom_lab[nat1+i].first>0 ) {
if( mybasemulticolvars[atom_lab[nat1+i].first-1]->getAbsoluteIndexOfCentralAtom(atom_lab[nat1+i].second)==
- all_atoms[atom_lab[j].second] ){ found=true; inum=nat1 + i; break; }
- } else if( atom_lab[j].first>0 ){
+ all_atoms[atom_lab[j].second] ) { found=true; inum=nat1 + i; break; }
+ } else if( atom_lab[j].first>0 ) {
if( all_atoms[atom_lab[nat1+i].second]==
mybasemulticolvars[atom_lab[j].first-1]->getAbsoluteIndexOfCentralAtom(atom_lab[j].second) ) { found=true; inum=nat1+i; break; }
} else if( all_atoms[atom_lab[nat1+i].second]==all_atoms[atom_lab[j].second] ) { found=true; inum=j; break; }
--
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