Vector< T, Alloc > Class Template Reference

Inherited by ParticleAttrib< T, Alloc >.

Collaboration diagram for Vector< T, Alloc >:

Public Types
using	Type_t = T
using	value_type = T
using	iterator = T *
using	const_iterator = const T *
using	size_type = typename Alloc::size_type
using	pointer = typename Alloc::pointer
using	const_pointer = typename Alloc::const_pointer
using	This_t = Vector< T, Alloc >

Public Member Functions
	Vector (size_type n=0, Type_t val=Type_t())
	constructor with size n More...
	Vector (T *ref, size_type n)
	constructor with an initialized ref More...
	Vector (const Vector &rhs)
	copy constructor More...
template<typename CONTAINER >
	Vector (const CONTAINER &from, T *ref, size_type n)
	This allows construction of a Vector on another containers owned memory that is using a dualspace allocator. More...
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
	Vector (std::initializer_list< T > ts)
	Initializer list constructor that can deal with both POD and nontrivial nested elements with move assignment operators. More...
Vector &	operator= (const Vector &rhs)
template<typename T1 , typename C1 , typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
Vector &	operator= (const Vector< T1, C1 > &rhs)
template<class RHS , typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
Vector &	operator= (const RHS &rhs)
virtual	~Vector ()
	Destructor. More...
void	attachReference (T *ref, size_type n)
template<typename CONTAINER >
void	attachReference (const CONTAINER &other, T *ref, size_type n)
	Attach to pre-allocated memory and propagate the allocator of the owning container. More...
size_type	size () const
	return the current size More...
void	resize (size_type n, Type_t val=Type_t())
	Resize the container. More...
void	clear ()
	clear More...
void	zero ()
void	free ()
	free More...
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
Type_t &	operator[] (size_type i)
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
const Type_t &	operator[] (size_type i) const
iterator	begin ()
const_iterator	begin () const
iterator	end ()
const_iterator	end () const
pointer	data ()
const_pointer	data () const
template<typename Allocator = Alloc, typename = IsDualSpace<Allocator>>
pointer	device_data ()
	Return the device_ptr matching X if this is a vector attached or owning dual space memory. More...
template<typename Allocator = Alloc, typename = IsDualSpace<Allocator>>
const_pointer	device_data () const
pointer	first_address ()
const_pointer	first_address () const
pointer	last_address ()
const_pointer	last_address () const
template<typename Allocator = Alloc, typename = IsDualSpace<Allocator>>
void	updateTo (size_type size=0, std::ptrdiff_t offset=0)
template<typename Allocator = Alloc, typename = IsDualSpace<Allocator>>
void	updateFrom (size_type size=0, std::ptrdiff_t offset=0)

Private Member Functions
void	resize_impl (size_type n)
	a dumb resize, always free existing memory and resize to n. n must be protected positive More...

Static Private Member Functions
static void	construct_fill_elements (Type_t *ptr, size_type n_elements, const Type_t &val)
static void	construct_copy_elements (const Type_t *from, size_type n_elements, Type_t *to)
static void	destroy_elements (Type_t *ptr, size_type n_elements)

Private Attributes
size_type	nLocal = 0
	size More...
size_type	nAllocated = 0
	The number of allocated. More...
T *	X = nullptr
	pointer to the data accessed through this object More...
Alloc	mAllocator
	allocator More...

Detailed Description

template<class T, typename Alloc = std::allocator<T>>
class qmcplusplus::Vector< T, Alloc >

Definition at line 33 of file OhmmsVector.h.

Member Typedef Documentation

const_iterator

using const_iterator = const T*

Definition at line 39 of file OhmmsVector.h.

const_pointer

using const_pointer = typename Alloc::const_pointer

Definition at line 42 of file OhmmsVector.h.

iterator

using iterator = T*

Definition at line 38 of file OhmmsVector.h.

pointer

using pointer = typename Alloc::pointer

Definition at line 41 of file OhmmsVector.h.

size_type

using size_type = typename Alloc::size_type

Definition at line 40 of file OhmmsVector.h.

This_t

using This_t = Vector<T, Alloc>

Definition at line 43 of file OhmmsVector.h.

Type_t

using Type_t = T

Definition at line 36 of file OhmmsVector.h.

value_type

using value_type = T

Definition at line 37 of file OhmmsVector.h.

Constructor & Destructor Documentation

Vector() [1/5]

Vector ( size_type  n = 0, Type_t  val = Type_t()  )

inlineexplicit

constructor with size n

Definition at line 46 of file OhmmsVector.h.

                                                                 : nLocal(n)
  {
    if (n)
    {
      resize_impl(n);
      construct_fill_elements(X, n, val);
    }
  }

Vector() [2/5]

Vector ( T *  ref, size_type  n  )

inlineexplicit

constructor with an initialized ref

Definition at line 56 of file OhmmsVector.h.

: nLocal(n), X(ref) {}

Vector() [3/5]

Vector ( const Vector< T, Alloc > &  rhs )

inline

copy constructor

Definition at line 59 of file OhmmsVector.h.

                            : nLocal(rhs.nLocal)
  {
    if (nLocal)
    {
      resize_impl(rhs.size());
      construct_copy_elements(rhs.data(), rhs.size(), X);
    }
  }

Vector() [4/5]

Vector ( const CONTAINER &  from, T *  ref, size_type  n  )

inline

This allows construction of a Vector on another containers owned memory that is using a dualspace allocator.

It can be any span of that memory. You're going to get a bunch of compile errors if the Container in questions is not using a the QMCPACK realspace dualspace allocator "interface"

Definition at line 74 of file OhmmsVector.h.

                                                     : nLocal(n), X(ref)
  {
    qmc_allocator_traits<Alloc>::attachReference(from.mAllocator, mAllocator, ref - from.data());
  }

Vector() [5/5]

Vector ( std::initializer_list< T >  ts )

inline

Initializer list constructor that can deal with both POD and nontrivial nested elements with move assignment operators.

Definition at line 83 of file OhmmsVector.h.

  {
    if (ts.size())
    {
      resize_impl(ts.size());
      construct_copy_elements(std::data(ts), ts.size(), X);
    }
  }

~Vector()

virtual ~Vector ( )

inlinevirtual

Destructor.

Definition at line 128 of file OhmmsVector.h.

{ free(); }

Member Function Documentation

attachReference() [1/2]

void attachReference ( T *  ref, size_type  n  )

inline

Definition at line 131 of file OhmmsVector.h.

Referenced by SoaDistanceTableAAOMPTarget< T, D, SC >::acquireResource(), Matrix< ST, qmcplusplus::Mallocator< ST > >::attachReference(), J1Spin< FT >::copyFromBuffer(), J1OrbitalSoA< FT >::copyFromBuffer(), JeeIOrbitalSoA< FT >::copyFromBuffer(), and SoaDistanceTableAAOMPTarget< T, D, SC >::move().

  {
    if (nAllocated)
    {
      free();
      // std::cerr << "Allocated OhmmsVector attachReference called.\n" << std::endl;
      // Nice idea but "default" constructed WFC elements in the batched driver make this a mess.
      //throw std::runtime_error("Pointer attaching is not allowed on Vector with allocated memory.");
    }
    nLocal     = n;
    nAllocated = 0;
    X          = ref;
  }

attachReference() [2/2]

void attachReference ( const CONTAINER &  other, T *  ref, size_type  n  )

inline

Attach to pre-allocated memory and propagate the allocator of the owning container.

Required for sane access to dual space memory

Definition at line 149 of file OhmmsVector.h.

  {
    if (nAllocated)
    {
      free();
    }
    nLocal     = n;
    nAllocated = 0;
    X          = ref;
    qmc_allocator_traits<Alloc>::attachReference(other.mAllocator, mAllocator, ref - other.data());
  }

begin() [1/2]

iterator begin ( )

inline

Definition at line 232 of file OhmmsVector.h.

Referenced by Matrix< ST, qmcplusplus::Mallocator< ST > >::add2Column(), Array< T, D >::Array(), Array< T, D >::begin(), Matrix< ST, qmcplusplus::Mallocator< ST > >::begin(), QMCCostFunction::checkConfigurations(), EstimatorManagerBase::collectBlockAverages(), EstimatorManagerNew::collectMainEstimators(), EstimatorManagerNew::collectScalarEstimators(), CombinedTraceSample< TraceReal >::combine(), SkEstimator::evaluate(), SkAllEstimator::evaluate(), SOECPComponent::evaluateValueAndDerivatives(), NonLocalECPComponent::evaluateValueAndDerivatives(), DensityMatrices1B::generate_samples(), OneBodyDensityMatrices::generateSamples(), EstimatorManagerNew::makeBlockAverages(), OneBodyDensityMatrices::normalizeBasis(), Array< T, D >::operator=(), LatticeGaussianProduct::registerData(), J1OrbitalSoA< FT >::registerData(), J1Spin< FT >::registerData(), JeeIOrbitalSoA< FT >::registerData(), Matrix< ST, qmcplusplus::Mallocator< ST > >::replaceColumn(), Matrix< ST, qmcplusplus::Mallocator< ST > >::replaceRow(), MultiWalkerTalker::reportVector(), MockQMCHamiltonianAndReporter::reportVector(), SkEstimator::setObservables(), SkAllEstimator::setObservables(), SkEstimator::setParticlePropertyList(), SkAllEstimator::setParticlePropertyList(), EstimatorManagerBase::stopBlock(), qmcplusplus::TEST_CASE(), and EinsplineSetBuilder::TileIons().

{ return X; }

begin() [2/2]

const_iterator begin ( ) const

inline

Definition at line 233 of file OhmmsVector.h.

{ return X; }

clear()

void clear ( )

inline

clear

Definition at line 191 of file OhmmsVector.h.

Referenced by ParticleSet::clear(), qmcplusplus::TEST_CASE(), and EnergyDensityEstimator::unset_ptcl().

{ nLocal = 0; }

construct_copy_elements()

static void construct_copy_elements ( const Type_t *  from, size_type  n_elements, Type_t *  to  )

inlinestaticprivate

Definition at line 311 of file OhmmsVector.h.

Referenced by Vector< T, std::allocator< T > >::Vector().

  {
    if constexpr (qmc_allocator_traits<Alloc>::is_host_accessible)
    {
      if constexpr (std::is_trivial<T>::value)
        std::copy_n(from, n_elements, to);
      else
        for (size_type i = 0; i < n_elements; i++)
          new (to + i) Type_t(*(from + i));
    }
  }

construct_fill_elements()

static void construct_fill_elements ( Type_t *  ptr, size_type  n_elements, const Type_t &  val  )

inlinestaticprivate

Definition at line 302 of file OhmmsVector.h.

Referenced by Vector< T, std::allocator< T > >::resize(), and Vector< T, std::allocator< T > >::Vector().

  {
    if constexpr (std::is_trivial<T>::value)
      qmc_allocator_traits<Alloc>::fill_n(ptr, n_elements, val);
    else if constexpr (qmc_allocator_traits<Alloc>::is_host_accessible)
      for (size_type i = 0; i < n_elements; i++)
        new (ptr + i) Type_t(val);
  }

data() [1/2]

pointer data ( )

inline

Definition at line 238 of file OhmmsVector.h.

Referenced by DelayedUpdate< T, T_FP >::acceptRow(), DelayedUpdateSYCL< T, T_FP >::acceptRow(), DelayedUpdateCUDA< T, T_FP >::acceptRow(), MomentumDistribution::accumulate(), SoaSphericalTensor< ST >::batched_evaluateV(), SoaCartesianTensor< T >::batched_evaluateV(), SoaSphericalTensor< ST >::batched_evaluateVGL(), SoaCartesianTensor< T >::batched_evaluateVGL(), MultiDiracDeterminant::buildTableMatrix_calculateRatios(), MultiDiracDeterminant::buildTableMatrix_calculateRatios_impl(), EstimatorManagerBase::collectBlockAverages(), J1OrbitalSoA< FT >::computeGL(), JeeIOrbitalSoA< FT >::computeGL(), J1Spin< FT >::computeGL(), DiracMatrixComputeOMPTarget< VALUE_FP >::computeInvertAndLog(), TwoBodyJastrow< FT >::computeU(), J1OrbitalSoA< FT >::computeU(), J1Spin< FT >::computeU(), TwoBodyJastrow< FT >::computeU3(), J1OrbitalSoA< FT >::computeU3(), J1Spin< FT >::computeU3(), JeeIOrbitalSoA< FT >::computeU3(), qmcplusplus::convertToReal(), Array< T, D >::data(), Matrix< ST, qmcplusplus::Mallocator< ST > >::data(), Array< T, D >::data_at(), DiracDeterminantWithBackflow::dummyEvalLi(), MomentumEstimator::evaluate(), PWOrbitalSet::evaluate(), PWRealOrbitalSet::evaluate(), PWBasis::evaluate(), DiracDeterminantWithBackflow::evaluateDerivatives(), MultiDiracDeterminant::evaluateDerivatives(), MultiDiracDeterminant::evaluateDerivativesWF(), MultiDiracDeterminant::evaluateForWalkerMove(), MultiDiracDeterminant::evaluateForWalkerMoveWithSpin(), DiracDeterminantWithBackflow::evaluateLog(), SoaSphericalTensor< ST >::evaluateV(), SOECPComponent::evaluateValueAndDerivatives(), NonLocalECPComponent::evaluateValueAndDerivatives(), Array< T, D >::first_address(), Matrix< ST, qmcplusplus::Mallocator< ST > >::first_address(), container_traits< Vector< T, ALLOC > >::getElementPtr(), DelayedUpdate< T, T_FP >::getInvRow(), DelayedUpdateSYCL< T, T_FP >::getInvRow(), DelayedUpdateCUDA< T, T_FP >::getInvRow(), Matrix< ST, qmcplusplus::Mallocator< ST > >::getMessage(), LRRPABFeeHandlerTemp< Func, BreakupBasis >::InitBreakup(), LRRPAHandlerTemp< Func, BreakupBasis >::InitBreakup(), LRHandlerTemp< Func, BreakupBasis >::InitBreakup(), LRHandlerSRCoulomb< Func, BreakupBasis >::InitBreakup(), qmcplusplus::InverseUpdateByColumn(), qmcplusplus::InverseUpdateByRow(), Array< T, D >::last_address(), Matrix< ST, qmcplusplus::Mallocator< ST > >::last_address(), qmcplusplus::testing::makeRngVector(), SoaDistanceTableAB< T, D, SC >::move(), SoaDistanceTableAA< T, D, SC >::move(), SoaDistanceTableAAOMPTarget< T, D, SC >::move(), SoaDistanceTableABOMPTarget< T, D, SC >::move(), MultiDiracDeterminant::mw_buildTableMatrix_calculateGradRatios(), DiracMatrixComputeCUDA< VALUE_FP >::mw_computeInvertAndLog_stride(), SoaAtomicBasisSet< ROT, SH >::mw_evaluateV(), SoaAtomicBasisSet< ROT, SH >::mw_evaluateVGL(), MultiDiracDeterminant::mw_updateRatios(), MultiDiracDeterminant::mw_updateRatios_det0(), MultiDiracDeterminant::mw_updateRatios_generic(), Vector< T, std::allocator< T > >::operator=(), Matrix< ST, qmcplusplus::Mallocator< ST > >::operator[](), qmcplusplus::MatrixOperators::product(), qmcplusplus::MatrixOperators::product_Atx(), Matrix< ST, qmcplusplus::Mallocator< ST > >::putMessage(), DiracDeterminantWithBackflow::ratio(), DiracDeterminantWithBackflow::ratioGrad(), TwoBodyJastrow< FT >::ratioGrad(), h5data_proxy< Vector< T > >::read(), DiracMatrixComputeOMPTarget< VALUE_FP >::reset(), RotatedSPOs::table_method_eval(), RotatedSPOs::table_method_evalWF(), qmcplusplus::TEST_CASE(), qmcplusplus::test_gemv_batched(), qmcplusplus::test_ger_batched(), qmcplusplus::test_LCAO_DiamondC_2x1x1_real(), DiracDeterminantWithBackflow::testDerivFjj(), DiracDeterminantWithBackflow::testL(), SoaDistanceTableAB< T, D, SC >::update(), SoaDistanceTableAA< T, D, SC >::update(), SoaDistanceTableABOMPTarget< T, D, SC >::update(), SoaDistanceTableAAOMPTarget< T, D, SC >::update(), DelayedUpdate< T, T_FP >::updateInvMat(), SoaDistanceTableAA< T, D, SC >::updatePartial(), SoaDistanceTableAAOMPTarget< T, D, SC >::updatePartial(), Vector< T, std::allocator< T > >::Vector(), h5data_proxy< Vector< T > >::write(), and EstimatorManagerNew::writeScalarH5().

{ return X; }

data() [2/2]

const_pointer data ( ) const

inline

Definition at line 239 of file OhmmsVector.h.

{ return X; }

destroy_elements()

static void destroy_elements ( Type_t *  ptr, size_type  n_elements  )

inlinestaticprivate

Definition at line 323 of file OhmmsVector.h.

Referenced by Vector< T, std::allocator< T > >::free(), and Vector< T, std::allocator< T > >::resize().

  {
    if constexpr (!std::is_trivial<T>::value && qmc_allocator_traits<Alloc>::is_host_accessible)
      for (size_type i = 0; i < n_elements; i++)
        (ptr + i)->~Type_t();
  }

device_data() [1/2]

pointer device_data ( )

inline

Return the device_ptr matching X if this is a vector attached or owning dual space memory.

Definition at line 245 of file OhmmsVector.h.

Referenced by Array< T, D >::device_data(), Matrix< ST, qmcplusplus::Mallocator< ST > >::device_data(), Array< T, D >::device_data_at(), MultiDiracDeterminant::mw_buildTableMatrix_calculateGradRatios(), DiracMatrixComputeCUDA< VALUE_FP >::mw_computeInvertAndLog_stride(), MultiDiracDeterminant::mw_InverseUpdateByColumn(), qmcplusplus::TEST_CASE(), qmcplusplus::test_gemm(), qmcplusplus::test_gemv_batched(), qmcplusplus::test_ger_batched(), qmcplusplus::test_LCAO_DiamondC_2x1x1_real(), qmcplusplus::test_one_gemm(), qmcplusplus::test_one_gemv(), and qmcplusplus::test_one_ger().

  {
    return mAllocator.get_device_ptr();
  }

device_data() [2/2]

const_pointer device_data ( ) const

inline

Definition at line 250 of file OhmmsVector.h.

  {
    return mAllocator.get_device_ptr();
  }

end() [1/2]

iterator end ( )

inline

Definition at line 235 of file OhmmsVector.h.

Referenced by Matrix< ST, qmcplusplus::Mallocator< ST > >::add(), QMCCostFunction::checkConfigurations(), EstimatorManagerBase::collectBlockAverages(), CombinedTraceSample< TraceReal >::combine(), Array< T, D >::end(), Matrix< ST, qmcplusplus::Mallocator< ST > >::end(), SkEstimator::evaluate(), SOECPComponent::evaluateValueAndDerivatives(), NonLocalECPComponent::evaluateValueAndDerivatives(), DensityMatrices1B::generate_samples(), OneBodyDensityMatrices::generateSamples(), EstimatorManagerNew::makeBlockAverages(), OneBodyDensityMatrices::normalizeBasis(), Array< T, D >::operator=(), LatticeGaussianProduct::registerData(), J1OrbitalSoA< FT >::registerData(), J1Spin< FT >::registerData(), JeeIOrbitalSoA< FT >::registerData(), MultiWalkerTalker::reportVector(), MockQMCHamiltonianAndReporter::reportVector(), SkEstimator::setObservables(), SkAllEstimator::setObservables(), SkEstimator::setParticlePropertyList(), SkAllEstimator::setParticlePropertyList(), and qmcplusplus::TEST_CASE().

{ return X + nLocal; }

end() [2/2]

const_iterator end ( ) const

inline

Definition at line 236 of file OhmmsVector.h.

{ return X + nLocal; }

first_address() [1/2]

pointer first_address ( )

inline

Definition at line 255 of file OhmmsVector.h.

Referenced by AGPDeterminant::copyFromBuffer(), LatticeGaussianProduct::copyFromBuffer(), AGPDeterminant::registerData(), AGPDeterminant::updateBuffer(), and LatticeGaussianProduct::updateBuffer().

{ return X; }

first_address() [2/2]

const_pointer first_address ( ) const

inline

Definition at line 256 of file OhmmsVector.h.

{ return X; }

free()

void free ( )

inline

free

Definition at line 196 of file OhmmsVector.h.

Referenced by SoaDistanceTableAAOMPTarget< T, D, SC >::acquireResource(), TwoBodyJastrow< FT >::acquireResource(), Vector< T, std::allocator< T > >::attachReference(), Matrix< ST, qmcplusplus::Mallocator< ST > >::free(), J1Spin< FT >::registerData(), J1OrbitalSoA< FT >::registerData(), JeeIOrbitalSoA< FT >::registerData(), SoaDistanceTableAAOMPTarget< T, D, SC >::releaseResource(), TwoBodyJastrow< FT >::releaseResource(), and Vector< T, std::allocator< T > >::~Vector().

  {
    if (nAllocated)
    {
      if (nLocal)
        destroy_elements(X, nLocal);
      mAllocator.deallocate(X, nAllocated);
    }
    nLocal     = 0;
    nAllocated = 0;
    X          = nullptr;
  }

last_address() [1/2]

pointer last_address ( )

inline

Definition at line 258 of file OhmmsVector.h.

Referenced by AGPDeterminant::copyFromBuffer(), LatticeGaussianProduct::copyFromBuffer(), AGPDeterminant::registerData(), AGPDeterminant::updateBuffer(), and LatticeGaussianProduct::updateBuffer().

{ return X + nLocal; }

last_address() [2/2]

const_pointer last_address ( ) const

inline

Definition at line 259 of file OhmmsVector.h.

{ return X + nLocal; }

operator=() [1/3]

Vector& operator= ( const Vector< T, Alloc > &  rhs )

inline

Definition at line 93 of file OhmmsVector.h.

  {
    if (this == &rhs)
      return *this;
    if (nLocal != rhs.nLocal)
      resize(rhs.nLocal);
    if (qmc_allocator_traits<Alloc>::is_host_accessible)
      std::copy_n(rhs.data(), nLocal, X);
    else
      qmc_allocator_traits<Alloc>::fill_n(X, nLocal, T());
    return *this;
  }

operator=() [2/3]

Vector& operator= ( const Vector< T1, C1 > &  rhs )

inline

Definition at line 108 of file OhmmsVector.h.

  {
    if (std::is_convertible<T1, T>::value)
    {
      if (nLocal != rhs.nLocal)
        resize(rhs.nLocal);
      std::copy_n(rhs.data(), nLocal, X);
    }
    return *this;
  }

operator=() [3/3]

Vector& operator= ( const RHS &  rhs )

inline

Definition at line 121 of file OhmmsVector.h.

  {
    assign(*this, rhs);
    return *this;
  }

operator[]() [1/2]

Type_t& operator[] ( size_type  i )

inline

Definition at line 211 of file OhmmsVector.h.

  {
    return X[i];
  }

operator[]() [2/2]

const Type_t& operator[] ( size_type  i ) const

inline

Definition at line 217 of file OhmmsVector.h.

  {
    return X[i];
  }

resize()

void resize ( size_type  n, Type_t  val = Type_t()  )

inline

Resize the container.

For performance consideration, previous data may or may not get kept. Please avoid relying on previous data after resizing.

Definition at line 166 of file OhmmsVector.h.

Referenced by CombinedTraceSample< TraceReal >::add_component(), qmcplusplus::applyCuspCorrection(), BackflowTransformation::BackflowTransformation(), EinsplineSetBuilder::BroadcastOrbitalInfo(), LatticeGaussianProductBuilder::buildComponent(), MultiSlaterDetTableMethod::calcIndividualDetRatios(), qmcplusplus::complex_test_case(), SpaceWarpTransformation::computeSWT(), qmcplusplus::double_test_case(), JeeIOrbitalSoA< FT >::evalGradSource(), CoulombPBCAB::evalPerParticleConsts(), RotatedSPOs::evaluateDerivatives(), MultiSlaterDetTableMethod::evaluateDerivativesMSD(), JeeIOrbitalSoA< FT >::evaluateDerivRatios(), BareKineticEnergy::evaluateOneBodyOpMatrix(), BareKineticEnergy::evaluateOneBodyOpMatrixForceDeriv(), NonLocalECPComponent::evaluateOneWithForces(), SOECPComponent::evaluateValueAndDerivatives(), NonLocalECPComponent::evaluateValueAndDerivatives(), FakeSPO::FakeSPO(), EwaldHandlerQuasi2D::fillFk(), EwaldHandler2D::fillFk(), EwaldHandler3D::fillFk(), LRRPABFeeHandlerTemp< Func, BreakupBasis >::fillFk(), LRRPAHandlerTemp< Func, BreakupBasis >::fillFk(), LRHandlerTemp< Func, BreakupBasis >::fillFk(), LRHandlerSRCoulomb< Func, BreakupBasis >::fillVk(), LRRPABFeeHandlerTemp< Func, BreakupBasis >::fillXk(), LRRPAHandlerTemp< Func, BreakupBasis >::fillXk(), LRHandlerTemp< Func, BreakupBasis >::fillXk(), LRHandlerSRCoulomb< Func, BreakupBasis >::fillYk(), LRHandlerSRCoulomb< Func, BreakupBasis >::fillYkg(), EwaldHandler3D::fillYkgstrain(), LRHandlerSRCoulomb< Func, BreakupBasis >::fillYkgstrain(), ForceBase::ForceBase(), JeeIOrbitalSoA< FT >::init(), DummyLRHandler< Func >::initBreakup(), LRHandlerSRCoulomb< Func, BreakupBasis >::InitBreakup(), Backflow_ee_kSpace::initialize(), J1Spin< FT >::initialize(), DensityMatrices1B::initialize(), J1OrbitalSoA< FT >::initialize(), ForceCeperley::InitMatrix(), ForceChiesaPBCAA::InitMatrix(), LatticeGaussianProduct::LatticeGaussianProduct(), ForceChiesaPBCAA::makeClone(), MomentumDistribution::MomentumDistribution(), MultiSlaterDetTableMethod::MultiSlaterDetTableMethod(), BareKineticEnergy::mw_evaluatePerParticle(), CoulombPBCAB::mw_evaluatePerParticle(), NonLocalECPotential::NonLocalECPotential(), OneBodyDensityMatrices::normalizeBasis(), OneBodyDensityMatrices::OneBodyDensityMatrices(), Vector< T, std::allocator< T > >::operator=(), EnergyDensityEstimator::put(), LCAOSpinorBuilder::putFromH5(), LCAOrbitalBuilder::putOccupation(), MomentumEstimator::putSpecial(), h5data_proxy< Vector< T > >::read(), EinsplineSetBuilder::ReadOrbitalInfo_ESHDF(), PWBasis::reset(), container_traits< Vector< T, ALLOC > >::resize(), SoaDistanceTableAB< T, D, SC >::resize(), MomentumEstimator::resize(), AGPDeterminant::resize(), SoaDistanceTableAA< T, D, SC >::resize(), DelayedUpdate< T, T_FP >::resize(), Array< T, D >::resize(), PWRealOrbitalSet::resize(), DelayedUpdateSYCL< T, T_FP >::resize(), DelayedUpdateCUDA< T, T_FP >::resize(), BasisSetBase< T >::resize(), SoaDistanceTableAAOMPTarget< T, D, SC >::resize(), Matrix< ST, qmcplusplus::Mallocator< ST > >::resize(), BackflowFunctionBase::resize(), DiracDeterminantWithBackflow::resize(), MultiDiracDeterminant::resize(), ParticleSet::resize(), SplineC2R< ST >::resize_kpoints(), SplineC2C< ST >::resize_kpoints(), SplineC2R< ST >::resizeStorage(), SplineR2R< ST >::resizeStorage(), SplineC2C< ST >::resizeStorage(), SplineC2COMPTarget< ST >::resizeStorage(), SplineC2ROMPTarget< ST >::resizeStorage(), J1Spin< FT >::resizeWFOptVectors(), J1OrbitalSoA< FT >::resizeWFOptVectors(), JeeIOrbitalSoA< FT >::resizeWFOptVectors(), TwoBodyJastrow< FT >::resizeWFOptVectors(), EnergyDensityEstimator::set_ptcl(), SkAllEstimator::SkAllEstimator(), SkEstimator::SkEstimator(), SkPot::SkPot(), SoaCartesianTensor< T >::SoaCartesianTensor(), SoaDistanceTableABOMPTarget< T, D, SC >::SoaDistanceTableABOMPTarget(), EstimatorManagerBase::start(), EstimatorManagerNew::startDriverRun(), RotatedSPOs::table_method_eval(), RotatedSPOs::table_method_evalWF(), qmcplusplus::TEST_CASE(), qmcplusplus::test_gemv_batched(), qmcplusplus::test_ger_batched(), qmcplusplus::test_J3_polynomial3D(), qmcplusplus::test_lcao_spinor(), qmcplusplus::test_lcao_spinor_excited(), BackflowTransformation::testDeriv(), SlaterDetWithBackflow::testDerivGL(), DiracDeterminantWithBackflow::testGG(), DiracDeterminantWithBackflow::testGGG(), EstimatorManagerNewTest::testMakeBlockAverages(), BackflowTransformation::testPbyP(), EinsplineSetBuilder::TileIons(), and VirtualParticleSet::VirtualParticleSet().

  {
    static_assert(std::is_same<value_type, typename Alloc::value_type>::value,
                  "Vector and Alloc data types must agree!");
    if (nLocal > nAllocated)
      throw std::runtime_error("Resize not allowed on Vector constructed by initialized memory.");

    if (n > nAllocated)
    {
      if (nLocal)
        destroy_elements(X, nLocal);
      resize_impl(n);
      construct_fill_elements(X, n, val);
    }
    else
    {
      if (n > nLocal)
        construct_fill_elements(X + nLocal, n - nLocal, val);
      if (n < nLocal)
        destroy_elements(X + n, nLocal - n);
      nLocal = n;
    }
  }

resize_impl()

void resize_impl ( size_type  n )

inlineprivate

a dumb resize, always free existing memory and resize to n. n must be protected positive

Definition at line 291 of file OhmmsVector.h.

Referenced by Vector< T, std::allocator< T > >::resize(), and Vector< T, std::allocator< T > >::Vector().

  {
    if (nAllocated)
    {
      mAllocator.deallocate(X, nAllocated);
    }
    X          = mAllocator.allocate(n);
    nLocal     = n;
    nAllocated = n;
  }

size()

size_type size ( void  ) const

inline

return the current size

Definition at line 162 of file OhmmsVector.h.

Referenced by qmcplusplus::accum_constant(), qmcplusplus::accum_sample(), SelfHealingOverlap::accumulate(), BackflowBuilder::addRPA(), LeafFunctor< Vector< T, C >, SizeLeaf >::apply(), LeafFunctor< ParticleAttrib< T >, SizeLeafPA >::apply(), qmcplusplus::applyCuspCorrection(), PAOps< T, 3, T1 >::axpy(), PAOps< T, 2, T1 >::axpy(), SoaSphericalTensor< ST >::batched_evaluateVGL(), SoaCartesianTensor< T >::batched_evaluateVGL(), Communicate::bcast(), EinsplineSetBuilder::BroadcastOrbitalInfo(), MultiDiracDeterminant::build_occ_vec(), qmcplusplus::check_force_copy(), EstimatorManagerBase::collectBlockAverages(), CombinedTraceSample< TraceReal >::combine(), DensityMatrices1B::compare(), qmcplusplus::complex_test_case(), qmcplusplus::computeRadialPhiBar(), ParticleSet::convert(), ParticleSet::convert2Cart(), ParticleSet::convert2Unit(), qmcplusplus::convertToReal(), PAOps< T, 3, T1 >::copy(), SplineC2R< ST >::create_spline(), SplineR2R< ST >::create_spline(), SplineC2C< ST >::create_spline(), SplineC2COMPTarget< ST >::create_spline(), SplineC2ROMPTarget< ST >::create_spline(), ParticleSet::createSK(), qmcplusplus::double_test_case(), SelfHealingOverlapLegacy::evaluate(), qmcplusplus::evaluate(), RotatedSPOs::evaluateDerivatives(), MultiDiracDeterminant::evaluateDerivatives(), TrialWaveFunction::evaluateDerivatives(), MultiDiracDeterminant::evaluateDerivativesWF(), MultiSlaterDetTableMethod::evaluateDerivativesWF(), MultiSlaterDetTableMethod::evaluateDerivRatios(), LRHandlerBase::evaluateGrad(), MultiSlaterDetTableMethod::evaluateLog(), SOECPComponent::evaluateValueAndDerivatives(), NonLocalECPComponent::evaluateValueAndDerivatives(), EwaldHandlerQuasi2D::fillFk(), EwaldHandler2D::fillFk(), EwaldHandler3D::fillFk(), LRRPABFeeHandlerTemp< Func, BreakupBasis >::fillFk(), LRRPAHandlerTemp< Func, BreakupBasis >::fillFk(), LRHandlerTemp< Func, BreakupBasis >::fillFk(), LRHandlerSRCoulomb< Func, BreakupBasis >::fillYk(), LRHandlerSRCoulomb< Func, BreakupBasis >::fillYkg(), EwaldHandler3D::fillYkgstrain(), LRHandlerSRCoulomb< Func, BreakupBasis >::fillYkgstrain(), SoaAtomicBasisSet< ROT, SH >::finalize(), DensityMatrices1B::get_energies(), MCWalkerConfiguration::getParticleNum(), container_traits< Vector< T, ALLOC > >::getSize(), h5data_proxy< Vector< T > >::h5data_proxy(), SpaceGrid::initialize_voronoi(), Array< T, D >::last_address(), EstimatorManagerNew::makeBlockAverages(), qmcplusplus::makeGaussRandom(), qmcplusplus::makeGaussRandomWithEngine(), BackflowBuilder::makeLongRange_twoBody(), VirtualParticleSet::makeMoves(), VirtualParticleSet::makeMovesWithSpin(), qmcplusplus::testing::makeRngVector(), qmcplusplus::makeUniformRandom(), SoaDistanceTableAAOMPTarget< T, D, SC >::move(), DiracMatrixComputeCUDA< VALUE_FP >::mw_computeInvertAndLog_stride(), MultiDiracDeterminant::mw_InverseUpdateByColumn(), VirtualParticleSet::mw_makeMoves(), VirtualParticleSet::mw_makeMovesWithSpin(), MultiDiracDeterminant::mw_updateRatios(), MultiDiracDeterminant::mw_updateRatios_det0(), qmcplusplus::operator==(), qmcplusplus::operator>>(), putContent(), EinsplineSetBuilder::ReadOrbitalInfo_ESHDF(), ParticleSet::resetGroups(), DensityMatrices1B::same(), PAOps< T, 3, T1 >::scale(), PAOps< T, 2, T1 >::scale(), EnergyDensityEstimator::set_ptcl(), RealSpacePositions::setAllParticlePos(), RealSpacePositionsOMPTarget::setAllParticlePos(), Array< T, D >::size(), EstimatorManagerBase::start(), EstimatorManagerBase::stop(), EstimatorManagerBase::stopBlock(), qmcplusplus::Sum(), Array< T, D >::sum(), TraceSample< TraceReal >::sum(), TEST_CASE(), qmcplusplus::TEST_CASE(), qmcplusplus::test_diamond_2x1x1_xml_input(), TraceSample< TraceReal >::TraceSample(), SymmetryGroup::TransformAllPositions(), SoaDistanceTableAA< T, D, SC >::update(), SoaDistanceTableAAOMPTarget< T, D, SC >::update(), Vector< T, std::allocator< T > >::updateFrom(), SoaDistanceTableAA< T, D, SC >::updatePartial(), SoaDistanceTableAAOMPTarget< T, D, SC >::updatePartial(), Vector< T, std::allocator< T > >::updateTo(), Vector< T, std::allocator< T > >::Vector(), and EstimatorManagerNew::writeScalarH5().

{ return nLocal; }

updateFrom()

void updateFrom ( size_type  size = 0, std::ptrdiff_t  offset = 0  )

inline

Definition at line 272 of file OhmmsVector.h.

Referenced by Array< T, D >::updateFrom(), and Matrix< ST, qmcplusplus::Mallocator< ST > >::updateFrom().

  {
    if (size == 0)
      qmc_allocator_traits<Alloc>::updateFrom(mAllocator, X, nLocal);
    else
      qmc_allocator_traits<Alloc>::updateFrom(mAllocator, X, size, offset);
  }

updateTo()

void updateTo ( size_type  size = 0, std::ptrdiff_t  offset = 0  )

inline

Definition at line 263 of file OhmmsVector.h.

Referenced by SoaAtomicBasisSet< ROT, SH >::finalize(), SoaAtomicBasisSet< ROT, SH >::setPBCParams(), SoaCartesianTensor< T >::SoaCartesianTensor(), qmcplusplus::TEST_CASE(), qmcplusplus::test_gemm(), qmcplusplus::test_gemv_batched(), qmcplusplus::test_ger_batched(), qmcplusplus::test_LCAO_DiamondC_2x1x1_real(), qmcplusplus::test_one_gemm(), qmcplusplus::test_one_gemv(), qmcplusplus::test_one_ger(), Array< T, D >::updateTo(), and Matrix< ST, qmcplusplus::Mallocator< ST > >::updateTo().

  {
    if (size == 0)
      qmc_allocator_traits<Alloc>::updateTo(mAllocator, X, nLocal);
    else
      qmc_allocator_traits<Alloc>::updateTo(mAllocator, X, size, offset);
  }

zero()

void zero ( )

inline

Definition at line 193 of file OhmmsVector.h.

{ qmc_allocator_traits<Alloc>::fill_n(X, nAllocated, T()); }

Member Data Documentation

mAllocator

Alloc mAllocator

private

allocator

Definition at line 288 of file OhmmsVector.h.

Referenced by Vector< T, std::allocator< T > >::attachReference(), Vector< T, std::allocator< T > >::device_data(), Vector< T, std::allocator< T > >::free(), Vector< T, std::allocator< T > >::resize_impl(), Vector< T, std::allocator< T > >::updateFrom(), Vector< T, std::allocator< T > >::updateTo(), and Vector< T, std::allocator< T > >::Vector().

nAllocated

size_type nAllocated = 0

private

The number of allocated.

Definition at line 284 of file OhmmsVector.h.

Referenced by Vector< T, std::allocator< T > >::attachReference(), Vector< T, std::allocator< T > >::free(), Vector< T, std::allocator< T > >::resize(), Vector< T, std::allocator< T > >::resize_impl(), and Vector< T, std::allocator< T > >::zero().

nLocal

size_type nLocal = 0

private

size

Definition at line 282 of file OhmmsVector.h.

Referenced by Vector< T, std::allocator< T > >::attachReference(), Vector< T, std::allocator< T > >::clear(), Vector< T, std::allocator< T > >::end(), Vector< T, std::allocator< T > >::free(), Vector< T, std::allocator< T > >::last_address(), Vector< T, std::allocator< T > >::operator=(), Vector< T, std::allocator< T > >::resize(), Vector< T, std::allocator< T > >::resize_impl(), Vector< T, std::allocator< T > >::size(), Vector< T, std::allocator< T > >::updateFrom(), Vector< T, std::allocator< T > >::updateTo(), and Vector< T, std::allocator< T > >::Vector().

X

T* X = nullptr

private

pointer to the data accessed through this object

Definition at line 286 of file OhmmsVector.h.

Referenced by Vector< T, std::allocator< T > >::attachReference(), Vector< T, std::allocator< T > >::begin(), Vector< T, std::allocator< T > >::data(), Vector< T, std::allocator< T > >::end(), Vector< T, std::allocator< T > >::first_address(), Vector< T, std::allocator< T > >::free(), Vector< T, std::allocator< T > >::last_address(), Vector< T, std::allocator< T > >::operator=(), Vector< T, std::allocator< T > >::operator[](), Vector< T, std::allocator< T > >::resize(), Vector< T, std::allocator< T > >::resize_impl(), Vector< T, std::allocator< T > >::updateFrom(), Vector< T, std::allocator< T > >::updateTo(), Vector< T, std::allocator< T > >::Vector(), and Vector< T, std::allocator< T > >::zero().

---

The documentation for this class was generated from the following file:

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Containers/OhmmsPETE/OhmmsVector.h