Skip to content

GitLab

Commit 083bc501 authored by peastman's avatar peastman
Browse files

Use C++11 style loops

parent 88313407
Show whitespace changes
Inline Side-by-side
Showing with 172 additions and 202 deletions
plugins/amoeba/openmmapi/src/AmoebaVdwForceImpl.cpp
View file @ 083bc501
......@@ -161,14 +161,14 @@ double AmoebaVdwForceImpl::calcDispersionCorrection(const System& system, const
// Double loop over different atom types.
std::string sigmaCombiningRule = force.getSigmaCombiningRule();
std::string epsilonCombiningRule = force.getEpsilonCombiningRule();
for (map<pair<double, double>, int>::const_iterator class1 = classCounts.begin(); class1 != classCounts.end(); ++class1) {
for (auto& class1 : classCounts) {
k = 0;
for (map<pair<double, double>, int>::const_iterator class2 = classCounts.begin(); class2 != classCounts.end(); ++class2) {
for (auto& class2 : classCounts) {
// AMOEBA combining rules, copied over from the CUDA code.
double iSigma = class1->first.first;
double jSigma = class2->first.first;
double iEpsilon = class1->first.second;
double jEpsilon = class2->first.second;
double iSigma = class1.first.first;
double jSigma = class2.first.first;
double iEpsilon = class1.first.second;
double jEpsilon = class2.first.second;
// ARITHMETIC = 1
// GEOMETRIC = 2
// CUBIC-MEAN = 3
......@@ -207,7 +207,7 @@ double AmoebaVdwForceImpl::calcDispersionCorrection(const System& system, const
epsilon = 0.0;
}
}
int count = class1->second * class2->second;
int count = class1.second * class2.second;
// Below is an exact copy of stuff from the previous block.
double rv = sigma;
double termik = 2.0 * M_PI * count; // termik is equivalent to 2 * pi * count.
......
plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
View file @ 083bc501
......@@ -973,8 +973,8 @@ void CudaCalcAmoebaMultipoleForceKernel::initialize(const System& system, const
molecularQuadrupolesVec.push_back((float) quadrupole[5]);
}
hasQuadrupoles = false;
for (int i = 0; i < (int) molecularQuadrupolesVec.size(); i++)
if (molecularQuadrupolesVec[i] != 0.0)
for (auto q : molecularQuadrupolesVec)
if (q != 0.0)
hasQuadrupoles = true;
int paddedNumAtoms = cu.getPaddedNumAtoms();
for (int i = numMultipoles; i < paddedNumAtoms; i++) {
......@@ -1049,15 +1049,15 @@ void CudaCalcAmoebaMultipoleForceKernel::initialize(const System& system, const
allAtoms.insert(atoms.begin(), atoms.end());
force.getCovalentMap(i, AmoebaMultipoleForce::Covalent13, atoms);
allAtoms.insert(atoms.begin(), atoms.end());
for (set<int>::const_iterator iter = allAtoms.begin(); iter != allAtoms.end(); ++iter)
covalentFlagValues.push_back(make_int3(i, *iter, 0));
for (int atom : allAtoms)
covalentFlagValues.push_back(make_int3(i, atom, 0));
force.getCovalentMap(i, AmoebaMultipoleForce::Covalent14, atoms);
allAtoms.insert(atoms.begin(), atoms.end());
for (int j = 0; j < (int) atoms.size(); j++)
covalentFlagValues.push_back(make_int3(i, atoms[j], 1));
for (int atom : atoms)
covalentFlagValues.push_back(make_int3(i, atom, 1));
force.getCovalentMap(i, AmoebaMultipoleForce::Covalent15, atoms);
for (int j = 0; j < (int) atoms.size(); j++)
covalentFlagValues.push_back(make_int3(i, atoms[j], 2));
for (int atom : atoms)
covalentFlagValues.push_back(make_int3(i, atom, 2));
allAtoms.insert(atoms.begin(), atoms.end());
force.getCovalentMap(i, AmoebaMultipoleForce::PolarizationCovalent11, atoms);
allAtoms.insert(atoms.begin(), atoms.end());
......@@ -1068,15 +1068,14 @@ void CudaCalcAmoebaMultipoleForceKernel::initialize(const System& system, const
vector<int> atoms12;
force.getCovalentMap(i, AmoebaMultipoleForce::PolarizationCovalent12, atoms12);
for (int j = 0; j < (int) atoms.size(); j++)
if (find(atoms12.begin(), atoms12.end(), atoms[j]) == atoms12.end())
polarizationFlagValues.push_back(make_int2(i, atoms[j]));
for (int atom : atoms)
if (find(atoms12.begin(), atoms12.end(), atom) == atoms12.end())
polarizationFlagValues.push_back(make_int2(i, atom));
}
set<pair<int, int> > tilesWithExclusions;
for (int atom1 = 0; atom1 < (int) exclusions.size(); ++atom1) {
int x = atom1/CudaContext::TileSize;
for (int j = 0; j < (int) exclusions[atom1].size(); ++j) {
int atom2 = exclusions[atom1][j];
for (int atom2 : exclusions[atom1]) {
int y = atom2/CudaContext::TileSize;
tilesWithExclusions.insert(make_pair(max(x, y), min(x, y)));
}
......@@ -1412,10 +1411,10 @@ void CudaCalcAmoebaMultipoleForceKernel::initializeScaleFactors() {
}
covalentFlags = CudaArray::create<uint2>(cu, nb.getExclusions().getSize(), "covalentFlags");
vector<uint2> covalentFlagsVec(nb.getExclusions().getSize(), make_uint2(0, 0));
for (int i = 0; i < (int) covalentFlagValues.size(); i++) {
int atom1 = covalentFlagValues[i].x;
int atom2 = covalentFlagValues[i].y;
int value = covalentFlagValues[i].z;
for (int3 values : covalentFlagValues) {
int atom1 = values.x;
int atom2 = values.y;
int value = values.z;
int x = atom1/CudaContext::TileSize;
int offset1 = atom1-x*CudaContext::TileSize;
int y = atom2/CudaContext::TileSize;
......@@ -1446,9 +1445,9 @@ void CudaCalcAmoebaMultipoleForceKernel::initializeScaleFactors() {
polarizationGroupFlags = CudaArray::create<unsigned int>(cu, nb.getExclusions().getSize(), "polarizationGroupFlags");
vector<unsigned int> polarizationGroupFlagsVec(nb.getExclusions().getSize(), 0);
for (int i = 0; i < (int) polarizationFlagValues.size(); i++) {
int atom1 = polarizationFlagValues[i].x;
int atom2 = polarizationFlagValues[i].y;
for (int2 values : polarizationFlagValues) {
int atom1 = values.x;
int atom2 = values.y;
int x = atom1/CudaContext::TileSize;
int offset1 = atom1-x*CudaContext::TileSize;
int y = atom2/CudaContext::TileSize;
......@@ -1473,10 +1472,12 @@ void CudaCalcAmoebaMultipoleForceKernel::initializeScaleFactors() {
double CudaCalcAmoebaMultipoleForceKernel::execute(ContextImpl& context, bool includeForces, bool includeEnergy) {
if (!hasInitializedScaleFactors) {
initializeScaleFactors();
for (int i = 0; i < (int) context.getForceImpls().size() && gkKernel == NULL; i++) {
AmoebaGeneralizedKirkwoodForceImpl* gkImpl = dynamic_cast<AmoebaGeneralizedKirkwoodForceImpl*>(context.getForceImpls()[i]);
if (gkImpl != NULL)
for (auto impl : context.getForceImpls()) {
AmoebaGeneralizedKirkwoodForceImpl* gkImpl = dynamic_cast<AmoebaGeneralizedKirkwoodForceImpl*>(impl);
if (gkImpl != NULL) {
gkKernel = dynamic_cast<CudaCalcAmoebaGeneralizedKirkwoodForceKernel*>(&gkImpl->getKernel().getImpl());
break;
}
}
}
CudaNonbondedUtilities& nb = cu.getNonbondedUtilities();
......@@ -2232,8 +2233,8 @@ void CudaCalcAmoebaMultipoleForceKernel::copyParametersToContext(ContextImpl& co
molecularQuadrupolesVec.push_back((float) quadrupole[5]);
}
if (!hasQuadrupoles) {
for (int i = 0; i < (int) molecularQuadrupolesVec.size(); i++)
if (molecularQuadrupolesVec[i] != 0.0)
for (auto q : molecularQuadrupolesVec)
if (q != 0.0)
throw OpenMMException("updateParametersInContext: Cannot set a non-zero quadrupole moment, because quadrupoles were excluded from the kernel");
}
for (int i = force.getNumMultipoles(); i < cu.getPaddedNumAtoms(); i++) {
......
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaExtrapolatedPolarization.cpp
View file @ 083bc501
......@@ -290,8 +290,8 @@ static void check_finite_differences(vector<Vec3> analytic_forces, Context &cont
// Take a small step in the direction of the energy gradient and see whether the potential energy changes by the expected amount.
double norm = 0.0;
for (int i = 0; i < (int) analytic_forces.size(); ++i)
norm += analytic_forces[i].dot(analytic_forces[i]);
for (auto& f : analytic_forces)
norm += f.dot(f);
norm = std::sqrt(norm);
const double stepSize = 1e-3;
double step = 0.5*stepSize/norm;
......
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaGeneralizedKirkwoodForce.cpp
View file @ 083bc501
......@@ -61,8 +61,8 @@ static void checkFiniteDifferences(vector<Vec3> forces, Context &context, vector
// Take a small step in the direction of the energy gradient and see whether the potential energy changes by the expected amount.
 
double norm = 0.0;
for (int i = 0; i < (int) forces.size(); ++i)
norm += forces[i].dot(forces[i]);
for (auto& f : forces)
norm += f.dot(f);
norm = std::sqrt(norm);
const double stepSize = 1e-3;
double step = 0.5*stepSize/norm;
......
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp
View file @ 083bc501
......@@ -2919,8 +2919,8 @@ static void testNoQuadrupoles(bool usePme) {
int axisType, atomX, atomY, atomZ;
vector<double> dipole, quadrupole;
amoebaMultipoleForce->getMultipoleParameters(i, charge, dipole, quadrupole, axisType, atomZ, atomX, atomY, thole, damping, polarity);
for (int j = 0; j < (int) quadrupole.size(); j++)
quadrupole[j] = 0;
for (auto& q : quadrupole)
q = 0;
amoebaMultipoleForce->setMultipoleParameters(i, charge, dipole, quadrupole, axisType, atomZ, atomX, atomY, thole, damping, polarity);
}
amoebaMultipoleForce->updateParametersInContext(context);
......
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
View file @ 083bc501
......@@ -206,18 +206,18 @@ void AmoebaReferenceMultipoleForce::setupScaleMaps(const vector< vector< vector<
// pScale & mScale
for (unsigned jj = 0; jj < AmoebaMultipoleForce::PolarizationCovalent11; jj++) {
const vector<int> covalentList = covalentInfo[jj];
for (unsigned int kk = 0; kk < covalentList.size(); kk++) {
unsigned int covalentIndex = static_cast<unsigned int>(covalentList[kk]);
if (covalentIndex < ii)continue;
for (int covalentIndex : covalentInfo[jj]) {
if (covalentIndex < ii)
continue;
// handle 0.5 factor for p14
int hit = 0;
if (jj == AmoebaMultipoleForce::Covalent14) {
for (unsigned int mm = 0; mm < covalentListP11.size() && hit == 0; mm++) {
if (covalentListP11[mm] == covalentIndex) {
for (int mm : covalentListP11) {
if (mm == covalentIndex) {
hit = 1;
break;
}
}
}
......@@ -231,9 +231,7 @@ void AmoebaReferenceMultipoleForce::setupScaleMaps(const vector< vector< vector<
// dScale & uScale
for (unsigned jj = AmoebaMultipoleForce::PolarizationCovalent11; jj < covalentInfo.size(); jj++) {
const vector<int> covalentList = covalentInfo[jj];
for (unsigned int kk = 0; kk < covalentList.size(); kk++) {
unsigned int covalentIndex = static_cast<unsigned int>(covalentList[kk]);
for (int covalentIndex : covalentInfo[jj]) {
if (covalentIndex < ii)continue;
_scaleMaps[ii][D_SCALE][covalentIndex] = _dScale[jj-4];
_scaleMaps[ii][U_SCALE][covalentIndex] = _uScale[jj-4];
......@@ -827,16 +825,16 @@ void AmoebaReferenceMultipoleForce::calculateInducedDipolePairIxns(const Multipo
double rr3 = -rrI[0];
double rr5 = rrI[1];
for (unsigned int ii = 0; ii < updateInducedDipoleFields.size(); ii++) {
for (auto& field : updateInducedDipoleFields) {
calculateInducedDipolePairIxn(particleI.particleIndex, particleJ.particleIndex, rr3, rr5, deltaR,
*updateInducedDipoleFields[ii].inducedDipoles, updateInducedDipoleFields[ii].inducedDipoleField);
*field.inducedDipoles, field.inducedDipoleField);
if (getPolarizationType() == AmoebaReferenceMultipoleForce::Extrapolated) {
// Compute and store the field gradient for later use.
double dx = deltaR[0];
double dy = deltaR[1];
double dz = deltaR[2];
OpenMM::Vec3 &dipolesI = (*updateInducedDipoleFields[ii].inducedDipoles)[particleI.particleIndex];
OpenMM::Vec3 &dipolesI = (*field.inducedDipoles)[particleI.particleIndex];
double xDipole = dipolesI[0];
double yDipole = dipolesI[1];
double zDipole = dipolesI[2];
......@@ -848,14 +846,14 @@ void AmoebaReferenceMultipoleForce::calculateInducedDipolePairIxns(const Multipo
double Exz = muDotR*dx*dz*rrI[2] - (xDipole*dz + zDipole*dx)*rrI[1];
double Eyz = muDotR*dy*dz*rrI[2] - (yDipole*dz + zDipole*dy)*rrI[1];
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][0] -= Exx;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][1] -= Eyy;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][2] -= Ezz;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][3] -= Exy;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][4] -= Exz;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][5] -= Eyz;
field.inducedDipoleFieldGradient[particleJ.particleIndex][0] -= Exx;
field.inducedDipoleFieldGradient[particleJ.particleIndex][1] -= Eyy;
field.inducedDipoleFieldGradient[particleJ.particleIndex][2] -= Ezz;
field.inducedDipoleFieldGradient[particleJ.particleIndex][3] -= Exy;
field.inducedDipoleFieldGradient[particleJ.particleIndex][4] -= Exz;
field.inducedDipoleFieldGradient[particleJ.particleIndex][5] -= Eyz;
OpenMM::Vec3 &dipolesJ = (*updateInducedDipoleFields[ii].inducedDipoles)[particleJ.particleIndex];
OpenMM::Vec3 &dipolesJ = (*field.inducedDipoles)[particleJ.particleIndex];
xDipole = dipolesJ[0];
yDipole = dipolesJ[1];
zDipole = dipolesJ[2];
......@@ -867,12 +865,12 @@ void AmoebaReferenceMultipoleForce::calculateInducedDipolePairIxns(const Multipo
Exz = muDotR*dx*dz*rrI[2] - (xDipole*dz + zDipole*dx)*rrI[1];
Eyz = muDotR*dy*dz*rrI[2] - (yDipole*dz + zDipole*dy)*rrI[1];
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][0] += Exx;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][1] += Eyy;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][2] += Ezz;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][3] += Exy;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][4] += Exz;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][5] += Eyz;
field.inducedDipoleFieldGradient[particleI.particleIndex][0] += Exx;
field.inducedDipoleFieldGradient[particleI.particleIndex][1] += Eyy;
field.inducedDipoleFieldGradient[particleI.particleIndex][2] += Ezz;
field.inducedDipoleFieldGradient[particleI.particleIndex][3] += Exy;
field.inducedDipoleFieldGradient[particleI.particleIndex][4] += Exz;
field.inducedDipoleFieldGradient[particleI.particleIndex][5] += Eyz;
}
}
}
......@@ -881,8 +879,8 @@ void AmoebaReferenceMultipoleForce::calculateInducedDipoleFields(const vector<Mu
// Initialize the fields to zero.
Vec3 zeroVec(0.0, 0.0, 0.0);
for (unsigned int ii = 0; ii < updateInducedDipoleFields.size(); ii++)
std::fill(updateInducedDipoleFields[ii].inducedDipoleField.begin(), updateInducedDipoleFields[ii].inducedDipoleField.end(), zeroVec);
for (auto& field : updateInducedDipoleFields)
std::fill(field.inducedDipoleField.begin(), field.inducedDipoleField.end(), zeroVec);
// Add fields from all induced dipoles.
......@@ -901,11 +899,11 @@ double AmoebaReferenceMultipoleForce::updateInducedDipoleFields(const vector<Mul
// Update the induced dipoles and calculate the convergence factor, maxEpsilon
double maxEpsilon = 0.0;
for (unsigned int kk = 0; kk < updateInducedDipoleFields.size(); kk++) {
for (auto& field : updateInducedDipoleFields) {
double epsilon = updateInducedDipole(particleData,
*updateInducedDipoleFields[kk].fixedMultipoleField,
updateInducedDipoleFields[kk].inducedDipoleField,
*updateInducedDipoleFields[kk].inducedDipoles);
*field.fixedMultipoleField,
field.inducedDipoleField,
*field.inducedDipoles);
maxEpsilon = epsilon > maxEpsilon ? epsilon : maxEpsilon;
}
......@@ -1792,9 +1790,8 @@ double AmoebaReferenceMultipoleForce::calculateElectrostatic(const vector<Multip
{
double energy = 0.0;
vector<double> scaleFactors(LAST_SCALE_TYPE_INDEX);
for (unsigned int kk = 0; kk < scaleFactors.size(); kk++) {
scaleFactors[kk] = 1.0;
}
for (auto& s : scaleFactors)
s = 1.0;
// main loop over particle pairs
......@@ -1971,9 +1968,7 @@ void AmoebaReferenceMultipoleForce::calculateLabFramePermanentDipoles(const vect
multipoleAtomCovalentInfo, particleData);
outputRotatedPermanentDipoles.resize(_numParticles);
for (int i = 0; i < _numParticles; i++)
{
outputRotatedPermanentDipoles[i] = particleData[i].dipole;
}
}
void AmoebaReferenceMultipoleForce::calculateTotalDipoles(const vector<Vec3>& particlePositions,
......@@ -1997,12 +1992,8 @@ void AmoebaReferenceMultipoleForce::calculateTotalDipoles(const vector<Vec3>& pa
multipoleAtomCovalentInfo, particleData);
outputTotalDipoles.resize(_numParticles);
for (int i = 0; i < _numParticles; i++)
{
for (int j = 0; j < 3; j++)
{
outputTotalDipoles[i][j] = particleData[i].dipole[j] + _inducedDipole[i][j];
}
}
}
void AmoebaReferenceMultipoleForce::calculateAmoebaSystemMultipoleMoments(const vector<double>& masses,
......@@ -2173,9 +2164,8 @@ void AmoebaReferenceMultipoleForce::calculateElectrostaticPotential(const vector
multipoleAtomCovalentInfo, particleData);
potential.resize(grid.size());
for (unsigned int ii = 0; ii < grid.size(); ii++) {
potential[ii] = 0.0;
}
for (auto& p : potential)
p = 0.0;
for (unsigned int ii = 0; ii < _numParticles; ii++) {
for (unsigned int jj = 0; jj < grid.size(); jj++) {
......@@ -2184,9 +2174,8 @@ void AmoebaReferenceMultipoleForce::calculateElectrostaticPotential(const vector
}
double term = _electric/_dielectric;
for (unsigned int ii = 0; ii < grid.size(); ii++) {
potential[ii] *= term;
}
for (auto& p : potential)
p *= term;
}
AmoebaReferenceMultipoleForce::UpdateInducedDipoleFieldStruct::UpdateInducedDipoleFieldStruct(vector<OpenMM::Vec3>& inputFixed_E_Field, vector<OpenMM::Vec3>& inputInducedDipoles, vector<vector<Vec3> >& extrapolatedDipoles, vector<vector<double> >& extrapolatedDipoleFieldGradient) :
......@@ -4066,9 +4055,8 @@ double AmoebaReferenceGeneralizedKirkwoodMultipoleForce::calculateElectrostatic(
// correct vacuum to SCRF derivatives (ediff1 in TINKER)
vector<double> scaleFactors(LAST_SCALE_TYPE_INDEX);
for (unsigned int kk = 0; kk < scaleFactors.size(); kk++) {
scaleFactors[kk] = 1.0;
}
for (auto& s : scaleFactors)
s = 1.0;
double eDiffEnergy = 0.0;
for (unsigned int ii = 0; ii < particleData.size(); ii++) {
......@@ -4082,9 +4070,8 @@ double AmoebaReferenceGeneralizedKirkwoodMultipoleForce::calculateElectrostatic(
scaleFactors[P_SCALE], scaleFactors[D_SCALE], forces, torques);
if (jj <= _maxScaleIndex[ii]) {
for (unsigned int kk = 0; kk < LAST_SCALE_TYPE_INDEX; kk++) {
scaleFactors[kk] = 1.0;
}
for (auto& s : scaleFactors)
s = 1.0;
}
}
}
......@@ -5012,9 +4999,8 @@ void AmoebaReferencePmeMultipoleForce::initializePmeGrid()
if (_pmeGrid == NULL)
return;
for (int jj = 0; jj < _totalGridSize; jj++) {
for (int jj = 0; jj < _totalGridSize; jj++)
_pmeGrid[jj].re = _pmeGrid[jj].im = 0.0;
}
}
void AmoebaReferencePmeMultipoleForce::getPeriodicDelta(Vec3& deltaR) const
......@@ -5137,9 +5123,9 @@ void AmoebaReferencePmeMultipoleForce::initializeBSplineModuli()
if (i > size/2)
k = k - size;
double zeta;
if (k == 0) {
if (k == 0)
zeta = 1.0;
} else {
else {
double sum1 = 1.0;
double sum2 = 1.0;
factor = M_PI*k/size;
......@@ -5307,9 +5293,8 @@ void AmoebaReferencePmeMultipoleForce::computeBSplinePoint(vector<double4>& thet
int k = i - 1;
double denom = 1.0 / k;
ARRAY(i,i) = denom * w * ARRAY(k,k);
for (int j = 1; j <= i-2; j++) {
for (int j = 1; j <= i-2; j++)
ARRAY(i,i-j) = denom * ((w+j)*ARRAY(k,i-j-1)+(i-j-w)*ARRAY(k,i-j));
}
ARRAY(i,1) = denom * (1.0-w) * ARRAY(k,1);
}
......@@ -5351,9 +5336,8 @@ void AmoebaReferencePmeMultipoleForce::computeBSplinePoint(vector<double4>& thet
// copy coefficients from temporary to permanent storage
for (int i = 1; i <= AMOEBA_PME_ORDER; i++) {
for (int i = 1; i <= AMOEBA_PME_ORDER; i++)
thetai[i-1] = double4(ARRAY(AMOEBA_PME_ORDER,i), ARRAY(AMOEBA_PME_ORDER-1,i), ARRAY(AMOEBA_PME_ORDER-2,i), ARRAY(AMOEBA_PME_ORDER-3,i));
}
}
/**
......@@ -5377,10 +5361,9 @@ void AmoebaReferencePmeMultipoleForce::computeAmoebaBsplines(const vector<Multip
igrid[jj] += igrid[jj] < 0 ? _pmeGridDimensions[jj] : 0;
vector<double4> thetaiTemp(AMOEBA_PME_ORDER);
computeBSplinePoint(thetaiTemp, w);
for (unsigned int kk = 0; kk < AMOEBA_PME_ORDER; kk++) {
for (unsigned int kk = 0; kk < AMOEBA_PME_ORDER; kk++)
_thetai[jj][ii*AMOEBA_PME_ORDER+kk] = thetaiTemp[kk];
}
}
// Record the grid point.
......@@ -6152,8 +6135,8 @@ void AmoebaReferencePmeMultipoleForce::calculateInducedDipoleFields(const vector
// Initialize the fields to zero.
Vec3 zeroVec(0.0, 0.0, 0.0);
for (unsigned int ii = 0; ii < updateInducedDipoleFields.size(); ii++)
std::fill(updateInducedDipoleFields[ii].inducedDipoleField.begin(), updateInducedDipoleFields[ii].inducedDipoleField.end(), zeroVec);
for (auto& field : updateInducedDipoleFields)
std::fill(field.inducedDipoleField.begin(), field.inducedDipoleField.end(), zeroVec);
// Add fields from direct space interactions.
......@@ -6232,11 +6215,11 @@ void AmoebaReferencePmeMultipoleForce::calculateInducedDipoleFields(const vector
// self ixn
double term = (4.0/3.0)*(_alphaEwald*_alphaEwald*_alphaEwald)/SQRT_PI;
for (unsigned int ii = 0; ii < updateInducedDipoleFields.size(); ii++) {
vector<Vec3>& inducedDipoles = *updateInducedDipoleFields[ii].inducedDipoles;
vector<Vec3>& field = updateInducedDipoleFields[ii].inducedDipoleField;
for (auto& field : updateInducedDipoleFields) {
vector<Vec3>& inducedDipoles = *field.inducedDipoles;
vector<Vec3>& inducedDipoleField = field.inducedDipoleField;
for (unsigned int jj = 0; jj < particleData.size(); jj++) {
field[jj] += inducedDipoles[jj]*term;
inducedDipoleField[jj] += inducedDipoles[jj]*term;
}
}
}
......@@ -6331,17 +6314,16 @@ void AmoebaReferencePmeMultipoleForce::calculateDirectInducedDipolePairIxns(cons
double preFactor2 = bn2 - rr5;
double preFactor3 = bn3 - rr7;
for (unsigned int ii = 0; ii < updateInducedDipoleFields.size(); ii++) {
for (auto& field : updateInducedDipoleFields) {
calculateDirectInducedDipolePairIxn(particleI.particleIndex, particleJ.particleIndex, preFactor1, preFactor2, deltaR,
*updateInducedDipoleFields[ii].inducedDipoles,
updateInducedDipoleFields[ii].inducedDipoleField);
*field.inducedDipoles, field.inducedDipoleField);
if (getPolarizationType() == AmoebaReferenceMultipoleForce::Extrapolated) {
// Compute and store the field gradient for later use.
double dx = deltaR[0];
double dy = deltaR[1];
double dz = deltaR[2];
OpenMM::Vec3 &dipolesI = (*updateInducedDipoleFields[ii].inducedDipoles)[particleI.particleIndex];
OpenMM::Vec3 &dipolesI = (*field.inducedDipoles)[particleI.particleIndex];
double xDipole = dipolesI[0];
double yDipole = dipolesI[1];
double zDipole = dipolesI[2];
......@@ -6353,14 +6335,14 @@ void AmoebaReferencePmeMultipoleForce::calculateDirectInducedDipolePairIxns(cons
double Exz = muDotR*dx*dz*preFactor3 - (xDipole*dz + zDipole*dx)*preFactor2;
double Eyz = muDotR*dy*dz*preFactor3 - (yDipole*dz + zDipole*dy)*preFactor2;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][0] -= Exx;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][1] -= Eyy;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][2] -= Ezz;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][3] -= Exy;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][4] -= Exz;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleJ.particleIndex][5] -= Eyz;
field.inducedDipoleFieldGradient[particleJ.particleIndex][0] -= Exx;
field.inducedDipoleFieldGradient[particleJ.particleIndex][1] -= Eyy;
field.inducedDipoleFieldGradient[particleJ.particleIndex][2] -= Ezz;
field.inducedDipoleFieldGradient[particleJ.particleIndex][3] -= Exy;
field.inducedDipoleFieldGradient[particleJ.particleIndex][4] -= Exz;
field.inducedDipoleFieldGradient[particleJ.particleIndex][5] -= Eyz;
OpenMM::Vec3 &dipolesJ = (*updateInducedDipoleFields[ii].inducedDipoles)[particleJ.particleIndex];
OpenMM::Vec3 &dipolesJ = (*field.inducedDipoles)[particleJ.particleIndex];
xDipole = dipolesJ[0];
yDipole = dipolesJ[1];
zDipole = dipolesJ[2];
......@@ -6372,12 +6354,12 @@ void AmoebaReferencePmeMultipoleForce::calculateDirectInducedDipolePairIxns(cons
Exz = muDotR*dx*dz*preFactor3 - (xDipole*dz + zDipole*dx)*preFactor2;
Eyz = muDotR*dy*dz*preFactor3 - (yDipole*dz + zDipole*dy)*preFactor2;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][0] += Exx;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][1] += Eyy;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][2] += Ezz;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][3] += Exy;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][4] += Exz;
updateInducedDipoleFields[ii].inducedDipoleFieldGradient[particleI.particleIndex][5] += Eyz;
field.inducedDipoleFieldGradient[particleI.particleIndex][0] += Exx;
field.inducedDipoleFieldGradient[particleI.particleIndex][1] += Eyy;
field.inducedDipoleFieldGradient[particleI.particleIndex][2] += Ezz;
field.inducedDipoleFieldGradient[particleI.particleIndex][3] += Exy;
field.inducedDipoleFieldGradient[particleI.particleIndex][4] += Exz;
field.inducedDipoleFieldGradient[particleI.particleIndex][5] += Eyz;
}
}
}
......@@ -6846,9 +6828,8 @@ double AmoebaReferencePmeMultipoleForce::calculateElectrostatic(const vector<Mul
{
double energy = 0.0;
vector<double> scaleFactors(LAST_SCALE_TYPE_INDEX);
for (unsigned int kk = 0; kk < scaleFactors.size(); kk++) {
scaleFactors[kk] = 1.0;
}
for (auto& s : scaleFactors)
s = 1.0;
// loop over particle pairs for direct space interactions
......@@ -6862,9 +6843,8 @@ double AmoebaReferencePmeMultipoleForce::calculateElectrostatic(const vector<Mul
energy += calculatePmeDirectElectrostaticPairIxn(particleData[ii], particleData[jj], scaleFactors, forces, torques);
if (jj <= _maxScaleIndex[ii]) {
for (unsigned int kk = 0; kk < LAST_SCALE_TYPE_INDEX; kk++) {
scaleFactors[kk] = 1.0;
}
for (auto& s : scaleFactors)
s = 1.0;
}
}
}
......
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceVdwForce.cpp
View file @ 083bc501
......@@ -277,9 +277,8 @@ double AmoebaReferenceVdwForce::calculateForceAndEnergy(int numParticles,
double sigmaI = sigmas[ii];
double epsilonI = epsilons[ii];
for (std::set<int>::const_iterator jj = allExclusions[ii].begin(); jj != allExclusions[ii].end(); jj++) {
exclusions[*jj] = 1;
}
for (int jj : allExclusions[ii])
exclusions[jj] = 1;
for (unsigned int jj = ii+1; jj < static_cast<unsigned int>(numParticles); jj++) {
if (exclusions[jj] == 0) {
......@@ -310,9 +309,8 @@ double AmoebaReferenceVdwForce::calculateForceAndEnergy(int numParticles,
}
}
for (std::set<int>::const_iterator jj = allExclusions[ii].begin(); jj != allExclusions[ii].end(); jj++) {
exclusions[*jj] = 0;
}
for (int jj : allExclusions[ii])
exclusions[jj] = 0;
}
return energy;
......
plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaExtrapolatedPolarization.cpp
View file @ 083bc501
......@@ -287,8 +287,8 @@ static void check_finite_differences(vector<Vec3> analytic_forces, Context &cont
// Take a small step in the direction of the energy gradient and see whether the potential energy changes by the expected amount.
double norm = 0.0;
for (int i = 0; i < (int) analytic_forces.size(); ++i)
norm += analytic_forces[i].dot(analytic_forces[i]);
for (auto& f : analytic_forces)
norm += f.dot(f);
norm = std::sqrt(norm);
const double stepSize = 1e-3;
double step = 0.5*stepSize/norm;
......
plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaGeneralizedKirkwoodForce.cpp
View file @ 083bc501
......@@ -61,8 +61,8 @@ static void checkFiniteDifferences(vector<Vec3> forces, Context &context, vector
// Take a small step in the direction of the energy gradient and see whether the potential energy changes by the expected amount.
 
double norm = 0.0;
for (int i = 0; i < (int) forces.size(); ++i)
norm += forces[i].dot(forces[i]);
for (auto& f : forces)
norm += f.dot(f);
norm = std::sqrt(norm);
const double stepSize = 1e-3;
double step = 0.5*stepSize/norm;
......
plugins/amoeba/serialization/src/AmoebaBondForceProxy.cpp
View file @ 083bc501
......@@ -72,11 +72,9 @@ void* AmoebaBondForceProxy::deserialize(const SerializationNode& node) const {
force->setAmoebaGlobalBondCubic(node.getDoubleProperty("cubic"));
force->setAmoebaGlobalBondQuartic(node.getDoubleProperty("quartic"));
const SerializationNode& bonds = node.getChildNode("Bonds");
for (unsigned int ii = 0; ii < (int) bonds.getChildren().size(); ii++) {
const SerializationNode& bond = bonds.getChildren()[ii];
for (auto& bond : bonds.getChildren())
force->addBond(bond.getIntProperty("p1"), bond.getIntProperty("p2"), bond.getDoubleProperty("d"), bond.getDoubleProperty("k"));
}
}
catch (...) {
delete force;
throw;
......
plugins/amoeba/serialization/src/AmoebaStretchBendForceProxy.cpp
View file @ 083bc501
......@@ -67,8 +67,7 @@ void* AmoebaStretchBendForceProxy::deserialize(const SerializationNode& node) co
if (version > 3)
force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic"));
const SerializationNode& bonds = node.getChildNode("StretchBendAngles");
for (unsigned int ii = 0; ii < (int) bonds.getChildren().size(); ii++) {
const SerializationNode& bond = bonds.getChildren()[ii];
for (auto& bond : bonds.getChildren()) {
double k1, k2;
if (version == 1)
k1 = k2 = bond.getDoubleProperty("k");
......
plugins/cpupme/src/CpuPmeKernels.cpp
View file @ 083bc501
......@@ -515,8 +515,8 @@ CpuCalcPmeReciprocalForceKernel::~CpuCalcPmeReciprocalForceKernel() {
pthread_mutex_destroy(&lock);
pthread_cond_destroy(&startCondition);
pthread_cond_destroy(&endCondition);
for (int i = 0; i < (int) tempGrid.size(); i++)
fftwf_free(tempGrid[i]);
for (auto grid : tempGrid)
fftwf_free(grid);
if (complexGrid != NULL)
fftwf_free(complexGrid);
if (hasCreatedPlan) {
......@@ -552,8 +552,8 @@ void CpuCalcPmeReciprocalForceKernel::runMainThread() {
if (includeEnergy) {
threads.resumeThreads(); // Signal threads to compute energy.
threads.waitForThreads();
for (int i = 0; i < (int) threadEnergy.size(); i++)
energy += threadEnergy[i];
for (auto e : threadEnergy)
energy += e;
}
threads.resumeThreads(); // Signal threads to perform reciprocal convolution.
threads.waitForThreads();
......@@ -805,8 +805,8 @@ CpuCalcDispersionPmeReciprocalForceKernel::~CpuCalcDispersionPmeReciprocalForceK
pthread_mutex_destroy(&lock);
pthread_cond_destroy(&startCondition);
pthread_cond_destroy(&endCondition);
for (int i = 0; i < (int) tempGrid.size(); i++)
fftwf_free(tempGrid[i]);
for (auto grid : tempGrid)
fftwf_free(grid);
if (complexGrid != NULL)
fftwf_free(complexGrid);
if (hasCreatedPlan) {
......@@ -843,8 +843,8 @@ void CpuCalcDispersionPmeReciprocalForceKernel::runMainThread() {
if (includeEnergy) {
threads.resumeThreads(); // Signal threads to compute energy.
threads.waitForThreads();
for (int i = 0; i < (int) threadEnergy.size(); i++)
energy += threadEnergy[i];
for (auto e : threadEnergy)
energy += e;
}
threads.resumeThreads(); // Signal threads to perform reciprocal convolution.
threads.waitForThreads();
......
plugins/drude/platforms/reference/src/ReferenceDrudeKernels.cpp
View file @ 083bc501
......@@ -267,8 +267,7 @@ void ReferenceIntegrateDrudeLangevinStepKernel::execute(ContextImpl& context, co
const double fscale = (1-vscale)/integrator.getFriction();
const double kT = BOLTZ*integrator.getTemperature();
const double noisescale = sqrt(2*kT*integrator.getFriction())*sqrt(0.5*(1-vscale*vscale)/integrator.getFriction());
for (int i = 0; i < (int) normalParticles.size(); i++) {
int index = normalParticles[i];
for (int index : normalParticles) {
double invMass = particleInvMass[index];
if (invMass != 0.0) {
double sqrtInvMass = sqrt(invMass);
......
plugins/drude/serialization/src/DrudeForceProxy.cpp
View file @ 083bc501
......@@ -67,17 +67,13 @@ void* DrudeForceProxy::deserialize(const SerializationNode& node) const {
DrudeForce* force = new DrudeForce();
try {
const SerializationNode& particles = node.getChildNode("Particles");
for (int i = 0; i < (int) particles.getChildren().size(); i++) {
const SerializationNode& particle = particles.getChildren()[i];
for (auto& particle : particles.getChildren())
force->addParticle(particle.getIntProperty("p"), particle.getIntProperty("p1"), particle.getIntProperty("p2"), particle.getIntProperty("p3"), particle.getIntProperty("p4"),
particle.getDoubleProperty("charge"), particle.getDoubleProperty("polarizability"), particle.getDoubleProperty("a12"), particle.getDoubleProperty("a34"));
}
const SerializationNode& pairs = node.getChildNode("ScreenedPairs");
for (int i = 0; i < (int) pairs.getChildren().size(); i++) {
const SerializationNode& pair = pairs.getChildren()[i];
for (auto& pair : pairs.getChildren())
force->addScreenedPair(pair.getIntProperty("p1"), pair.getIntProperty("p2"), pair.getDoubleProperty("thole"));
}
}
catch (...) {
delete force;
throw;
......
plugins/rpmd/openmmapi/src/RPMDIntegrator.cpp
View file @ 083bc501
......@@ -119,13 +119,13 @@ State RPMDIntegrator::getState(int copy, int types, bool enforcePeriodicBox, int
const vector<vector<int> >& molecules = context->getMolecules();
Vec3 periodicBoxSize[3];
state2.getPeriodicBoxVectors(periodicBoxSize[0], periodicBoxSize[1], periodicBoxSize[2]);
for (int i = 0; i < (int) molecules.size(); i++) {
for (auto& mol : molecules) {
// Find the molecule center.
Vec3 center;
for (int j = 0; j < (int) molecules[i].size(); j++)
center += refPos[molecules[i][j]];
center *= 1.0/molecules[i].size();
for (int j : mol)
center += refPos[j];
center *= 1.0/mol.size();
// Find the displacement to move it into the first periodic box.
Vec3 diff;
......@@ -134,8 +134,8 @@ State RPMDIntegrator::getState(int copy, int types, bool enforcePeriodicBox, int
diff += periodicBoxSize[0]*floor((center[0]-diff[0])/periodicBoxSize[0][0]);
// Translate all the particles in the molecule.
for (int j = 0; j < (int) molecules[i].size(); j++) {
Vec3& pos = positions[molecules[i][j]];
for (int j : mol) {
Vec3& pos = positions[j];
pos -= diff;
}
}
......@@ -188,9 +188,8 @@ void RPMDIntegrator::step(int steps) {
context->getOwner().setPositions(p);
isFirstStep = false;
}
vector<ForceImpl*>& forceImpls = context->getForceImpls();
for (int i = 0; i < (int) forceImpls.size(); i++) {
RPMDUpdater* updater = dynamic_cast<RPMDUpdater*>(forceImpls[i]);
for (auto impl : context->getForceImpls()) {
RPMDUpdater* updater = dynamic_cast<RPMDUpdater*>(impl);
if (updater != NULL)
updater->updateRPMDState(*context);
}
......
plugins/rpmd/platforms/cuda/src/CudaRpmdKernels.cpp
View file @ 083bc501
......@@ -116,9 +116,9 @@ void CudaIntegrateRPMDStepKernel::initialize(const System& system, const RPMDInt
groupsNotContracted = -1;
const map<int, int>& contractions = integrator.getContractions();
int maxContractedCopies = 0;
for (map<int, int>::const_iterator iter = contractions.begin(); iter != contractions.end(); ++iter) {
int group = iter->first;
int copies = iter->second;
for (auto& c : contractions) {
int group = c.first;
int copies = c.second;
if (group < 0 || group > 31)
throw OpenMMException("RPMDIntegrator: Force group must be between 0 and 31");
if (copies < 0 || copies > numCopies)
......@@ -166,8 +166,8 @@ void CudaIntegrateRPMDStepKernel::initialize(const System& system, const RPMDInt
// Create kernels for doing contractions.
for (map<int, int>::const_iterator iter = groupsByCopies.begin(); iter != groupsByCopies.end(); ++iter) {
int copies = iter->first;
for (auto& g : groupsByCopies) {
int copies = g.first;
replacements.clear();
replacements["NUM_CONTRACTED_COPIES"] = cu.intToString(copies);
replacements["POS_SCALE"] = cu.doubleToString(1.0/numCopies);
......@@ -267,9 +267,9 @@ void CudaIntegrateRPMDStepKernel::computeForces(ContextImpl& context) {
// Now loop over contractions and compute forces from them.
for (map<int, int>::const_iterator iter = groupsByCopies.begin(); iter != groupsByCopies.end(); ++iter) {
int copies = iter->first;
int groupFlags = iter->second;
for (auto& g : groupsByCopies) {
int copies = g.first;
int groupFlags = g.second;
// Find the contracted positions.
......
plugins/rpmd/platforms/opencl/src/OpenCLRpmdKernels.cpp
View file @ 083bc501
......@@ -96,9 +96,9 @@ void OpenCLIntegrateRPMDStepKernel::initialize(const System& system, const RPMDI
groupsNotContracted = -1;
const map<int, int>& contractions = integrator.getContractions();
int maxContractedCopies = 0;
for (map<int, int>::const_iterator iter = contractions.begin(); iter != contractions.end(); ++iter) {
int group = iter->first;
int copies = iter->second;
for (auto& c : contractions) {
int group = c.first;
int copies = c.second;
if (group < 0 || group > 31)
throw OpenMMException("RPMDIntegrator: Force group must be between 0 and 31");
if (copies < 0 || copies > numCopies)
......@@ -146,8 +146,8 @@ void OpenCLIntegrateRPMDStepKernel::initialize(const System& system, const RPMDI
// Create kernels for doing contractions.
for (map<int, int>::const_iterator iter = groupsByCopies.begin(); iter != groupsByCopies.end(); ++iter) {
int copies = iter->first;
for (auto& g : groupsByCopies) {
int copies = g.first;
replacements.clear();
replacements["NUM_CONTRACTED_COPIES"] = cl.intToString(copies);
replacements["POS_SCALE"] = cl.doubleToString(1.0/numCopies);
......@@ -182,8 +182,8 @@ void OpenCLIntegrateRPMDStepKernel::initializeKernels(ContextImpl& context) {
copyFromContextKernel.setArg<cl::Buffer>(3, velocities->getDeviceBuffer());
copyFromContextKernel.setArg<cl::Buffer>(4, cl.getPosq().getDeviceBuffer());
copyFromContextKernel.setArg<cl::Buffer>(6, cl.getAtomIndexArray().getDeviceBuffer());
for (map<int, int>::const_iterator iter = groupsByCopies.begin(); iter != groupsByCopies.end(); ++iter) {
int copies = iter->first;
for (auto& g : groupsByCopies) {
int copies = g.first;
positionContractionKernels[copies].setArg<cl::Buffer>(0, positions->getDeviceBuffer());
positionContractionKernels[copies].setArg<cl::Buffer>(1, contractedPositions->getDeviceBuffer());
forceContractionKernels[copies].setArg<cl::Buffer>(0, forces->getDeviceBuffer());
......@@ -286,9 +286,9 @@ void OpenCLIntegrateRPMDStepKernel::computeForces(ContextImpl& context) {
copyToContextKernel.setArg<cl::Buffer>(2, contractedPositions->getDeviceBuffer());
copyFromContextKernel.setArg<cl::Buffer>(1, contractedForces->getDeviceBuffer());
copyFromContextKernel.setArg<cl::Buffer>(5, contractedPositions->getDeviceBuffer());
for (map<int, int>::const_iterator iter = groupsByCopies.begin(); iter != groupsByCopies.end(); ++iter) {
int copies = iter->first;
int groupFlags = iter->second;
for (auto& g : groupsByCopies) {
int copies = g.first;
int groupFlags = g.second;
// Find the contracted positions.
......
plugins/rpmd/platforms/reference/src/ReferenceRpmdKernels.cpp
View file @ 083bc501
......@@ -55,9 +55,9 @@ static vector<Vec3>& extractForces(ContextImpl& context) {
ReferenceIntegrateRPMDStepKernel::~ReferenceIntegrateRPMDStepKernel() {
if (fft != NULL)
fftpack_destroy(fft);
for (map<int, fftpack*>::const_iterator iter = contractionFFT.begin(); iter != contractionFFT.end(); ++iter)
if (iter->second != NULL)
fftpack_destroy(iter->second);
for (auto& c : contractionFFT)
if (c.second != NULL)
fftpack_destroy(c.second);
}
void ReferenceIntegrateRPMDStepKernel::initialize(const System& system, const RPMDIntegrator& integrator) {
......@@ -79,9 +79,9 @@ void ReferenceIntegrateRPMDStepKernel::initialize(const System& system, const RP
groupsNotContracted = -1;
const map<int, int>& contractions = integrator.getContractions();
int maxContractedCopies = 0;
for (map<int, int>::const_iterator iter = contractions.begin(); iter != contractions.end(); ++iter) {
int group = iter->first;
int copies = iter->second;
for (auto& c : contractions) {
int group = c.first;
int copies = c.second;
if (group < 0 || group > 31)
throw OpenMMException("RPMDIntegrator: Force group must be between 0 and 31");
if (copies < 0 || copies > numCopies)
......@@ -290,9 +290,9 @@ void ReferenceIntegrateRPMDStepKernel::computeForces(ContextImpl& context, const
// Now loop over contractions and compute forces from them.
for (map<int, int>::const_iterator iter = groupsByCopies.begin(); iter != groupsByCopies.end(); ++iter) {
int copies = iter->first;
int groupFlags = iter->second;
for (auto& g : groupsByCopies) {
int copies = g.first;
int groupFlags = g.second;
fftpack* shortFFT = contractionFFT[copies];
// Find the contracted positions.
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment