Matrix< T, Alloc > Class Template Reference

Inheritance diagram for Matrix< T, Alloc >:

Collaboration diagram for Matrix< T, Alloc >:

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

Public Member Functions
	Matrix ()
	Matrix (size_type n)
	Matrix (size_type n, size_type m)
	Matrix (T *ref, size_type n, size_type m)
	constructor with an initialized ref More...
template<typename CONTAINER >
	Matrix (const CONTAINER &other, T *ref, size_type n, size_type m)
	This allows construction of a Matrix on another containers owned memory that is using a dualspace allocator. More...
	Matrix (const This_t &rhs)
	~Matrix ()
size_type	size () const
size_type	rows () const
size_type	cols () const
size_type	size1 () const
size_type	size2 () const
size_type	size (int i) const
size_type	extent (int i) const
Container_t::iterator	begin ()
Container_t::iterator	end ()
Container_t::const_iterator	begin () const
Container_t::const_iterator	end () const
Container_t::iterator	begin (int i)
Container_t::const_iterator	begin (int i) const
void	resize (size_type n, size_type m)
	Resize the container. More...
void	free ()
void	attachReference (T *ref)
void	attachReference (T *ref, size_type n, size_type m)
template<typename CONTAINER >
void	attachReference (const CONTAINER &other, T *ref, size_type n, size_type m)
	Attach to pre-allocated memory and propagate the allocator of the owning container. More...
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
void	add (size_type n)
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
void	copy (const This_t &rhs)
template<class T_FROM , typename ALLOC_FROM >
void	assignUpperLeft (const Matrix< T_FROM, ALLOC_FROM > &from)
	This assigns from a matrix with larger row size (used for alignment) to whatever the rowsize is here. More...
This_t &	operator= (const This_t &rhs)
template<class RHS , typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
This_t &	operator= (const RHS &rhs)
pointer	data ()
const_pointer	data () const
template<typename Allocator = Alloc, typename = IsDualSpace<Allocator>>
pointer	device_data ()
template<typename Allocator = Alloc, typename = IsDualSpace<Allocator>>
const_pointer	device_data () const
const Type_t *	data (size_type i) const
Type_t *	data (size_type i)
	returns a pointer of i-th row, g++ iterator problem More...
pointer	first_address ()
const_pointer	first_address () const
pointer	last_address ()
const Type_t *	last_address () const
const Type_t *	operator[] (size_type i) const
Type_t *	operator[] (size_type i)
	returns a pointer of i-th row, g++ iterator problem More...
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
Type_t &	operator() (size_type i)
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
Type_t	operator() (size_type i) const
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
Type_t &	operator() (size_type i, size_type j)
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
const Type_t &	operator() (size_type i, size_type j) const
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
void	swap_rows (int r1, int r2)
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
void	swap_cols (int c1, int c2)
template<class IT , typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
void	replaceRow (IT first, size_type i)
template<class IT , typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
void	replaceColumn (IT first, size_type j)
template<class IT , typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
void	add2Column (IT first, size_type j)
template<class T1 , typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
void	add (const T1 *sub, size_type d1, size_type d2, size_type i0, size_type j0)
template<class T1 , typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
void	add (const T1 *sub, size_type d1, size_type d2, size_type i0, size_type j0, const T &phi)
template<class SubMat_t , typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
void	add (const SubMat_t &sub, unsigned int i0, unsigned int j0)
template<typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
void	add (const This_t &sub, unsigned int i0, unsigned int j0)
template<class Msg , typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
Msg &	putMessage (Msg &m)
template<class Msg , typename Allocator = Alloc, typename = IsHostSafe<Allocator>>
Msg &	getMessage (Msg &m)
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)

Protected Attributes
size_type	D1
size_type	D2
size_type	TotSize
Container_t	X

Detailed Description

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

Definition at line 27 of file OhmmsMatrix.h.

Member Typedef Documentation

const_pointer

using const_pointer = const T*

Definition at line 33 of file OhmmsMatrix.h.

Container_t

using Container_t = Vector<T, Alloc>

Definition at line 34 of file OhmmsMatrix.h.

iterator

using iterator = typename Container_t::iterator

Definition at line 36 of file OhmmsMatrix.h.

pointer

using pointer = T*

Definition at line 32 of file OhmmsMatrix.h.

size_type

using size_type = typename Container_t::size_type

Definition at line 35 of file OhmmsMatrix.h.

This_t

using This_t = Matrix<T, Alloc>

Definition at line 37 of file OhmmsMatrix.h.

Type_t

using Type_t = T

Definition at line 30 of file OhmmsMatrix.h.

value_type

using value_type = T

Definition at line 31 of file OhmmsMatrix.h.

Constructor & Destructor Documentation

Matrix() [1/6]

Matrix ( )

inline

Definition at line 39 of file OhmmsMatrix.h.

: D1(0), D2(0), TotSize(0) {} // Default Constructor initializes to zero.

Matrix() [2/6]

Matrix ( size_type  n )

inline

Definition at line 41 of file OhmmsMatrix.h.

  {
    resize(n, n);
    //assign(*this, T());
  }

Matrix() [3/6]

Matrix ( size_type  n, size_type  m  )

inline

Definition at line 47 of file OhmmsMatrix.h.

  {
    resize(n, m);
    //assign(*this, T());
  }

Matrix() [4/6]

Matrix ( T *  ref, size_type  n, size_type  m  )

inline

constructor with an initialized ref

Definition at line 54 of file OhmmsMatrix.h.

: D1(n), D2(m), TotSize(n * m), X(ref, n * m) {}

Matrix() [5/6]

Matrix ( const CONTAINER &  other, T *  ref, size_type  n, size_type  m  )

inline

This allows construction of a Matrix 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 62 of file OhmmsMatrix.h.

                                                                   : D1(n), D2(m), TotSize(n * m), X(other, ref, n * m)
  {}

Matrix() [6/6]

Matrix ( const This_t &  rhs )

inline

Definition at line 66 of file OhmmsMatrix.h.

  {
    resize(rhs.D1, rhs.D2);
    if (qmc_allocator_traits<Alloc>::is_host_accessible)
      assign(*this, rhs);
  }

~Matrix()

~Matrix ( )

inline

Definition at line 74 of file OhmmsMatrix.h.

{}

Member Function Documentation

add() [1/5]

void add ( size_type  n )

inline

Definition at line 136 of file OhmmsMatrix.h.

  {
    X.insert(X.end(), n * D2, T());
    D1 += n;
  }

add() [2/5]

void add ( const T1 *  sub, size_type  d1, size_type  d2, size_type  i0, size_type  j0  )

inline

Parameters

sub	an input array to be copied
d1	row-dimension of the input array
d2	column-dimension of the input array
i0	starting row where the copying is done
j0	starting column where the copying is done

Definition at line 300 of file OhmmsMatrix.h.

  {
    int ii = 0;
    for (int i = 0; i < d1; i++)
    {
      int kk = (i0 + i) * D2 + j0;
      for (int j = 0; j < d2; j++)
      {
        X[kk++] += sub[ii++];
      }
    }
  }

add() [3/5]

void add ( const T1 *  sub, size_type  d1, size_type  d2, size_type  i0, size_type  j0, const T &  phi  )

inline

Definition at line 314 of file OhmmsMatrix.h.

  {
    size_type ii = 0;
    for (size_type i = 0; i < d1; i++)
    {
      int kk = (i0 + i) * D2 + j0;
      for (size_type j = 0; j < d2; j++)
      {
        X[kk++] += phi * sub[ii++];
      }
    }
  }

add() [4/5]

void add ( const SubMat_t &  sub, unsigned int  i0, unsigned int  j0  )

inline

Definition at line 328 of file OhmmsMatrix.h.

  {
    size_type ii = 0;
    for (size_type i = 0; i < sub.rows(); i++)
    {
      int kk = (i0 + i) * D2 + j0;
      for (size_type j = 0; j < sub.cols(); j++)
      {
        X[kk++] += sub(ii++);
      }
    }
  }

add() [5/5]

void add ( const This_t &  sub, unsigned int  i0, unsigned int  j0  )

inline

Definition at line 342 of file OhmmsMatrix.h.

  {
    size_type ii = 0;
    for (size_type i = 0; i < sub.rows(); i++)
    {
      int kk = (i0 + i) * D2 + j0;
      for (size_type j = 0; j < sub.cols(); j++)
      {
        X[kk++] += sub[ii++];
      }
    }
  }

add2Column()

void add2Column ( IT  first, size_type  j  )

inline

Definition at line 285 of file OhmmsMatrix.h.

  {
    typename Container_t::iterator ii(X.begin() + j);
    for (int i = 0; i < D1; i++, ii += D2)
      *ii += *first++;
  }

assignUpperLeft()

void assignUpperLeft ( const Matrix< T_FROM, ALLOC_FROM > &  from )

inline

This assigns from a matrix with larger row size (used for alignment) to whatever the rowsize is here.

Hacky but so is just making the matrix n x (n + padding) to handle row alignment. This is unoptimized.

Definition at line 155 of file OhmmsMatrix.h.

Referenced by DiracMatrixComputeCUDA< VALUE_FP >::invert_transpose(), and qmcplusplus::TEST_CASE().

  {
    auto& this_ref    = *this;
    const size_type cols = std::min(this_ref.cols(), from.cols());
    const size_type rows = std::min(this_ref.rows(), from.rows());
    for (int i = 0; i < rows; ++i)
      for (int j = 0; j < cols; ++j)
        this_ref(i, j) = from(i, j);
  }

attachReference() [1/3]

void attachReference ( T *  ref )

inline

Definition at line 113 of file OhmmsMatrix.h.

Referenced by DiracMatrixComputeCUDA< VALUE_FP >::invert_transpose(), and DiracMatrixComputeCUDA< VALUE_FP >::mw_invertTranspose().

{ X.attachReference(ref, TotSize); }

attachReference() [2/3]

void attachReference ( T *  ref, size_type  n, size_type  m  )

inline

Definition at line 115 of file OhmmsMatrix.h.

  {
    D1      = n;
    D2      = m;
    TotSize = n * m;
    X.attachReference(ref, TotSize);
  }

attachReference() [3/3]

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

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 127 of file OhmmsMatrix.h.

  {
    D1      = n;
    D2      = m;
    TotSize = n * m;
    X.attachReference(other, ref, TotSize);
  }

begin() [1/4]

Container_t::iterator begin ( )

inline

Definition at line 89 of file OhmmsMatrix.h.

Referenced by MultiDiracDeterminant::acceptMove(), Communicate::allreduce(), AGPDeterminant::copyFromBuffer(), qmcplusplus::doSOECPotentialTest(), SpaceGrid::evaluate(), CountingGaussianRegion::evaluate(), CountingGaussianRegion::evaluate_print(), CountingJastrow< RegionType >::evaluateDerivatives(), TrialWaveFunction::evaluateDerivRatios(), CountingJastrow< RegionType >::evaluateExponents(), CountingJastrow< RegionType >::evaluateExponents_print(), get_diamond_fill_data(), LCAOHDFParser::getMO(), gsum(), SpaceGrid::put(), AGPDeterminant::registerData(), qmcplusplus::TEST_CASE(), and AGPDeterminant::updateBuffer().

{ return X.begin(); }

begin() [2/4]

Container_t::const_iterator begin ( ) const

inline

Definition at line 91 of file OhmmsMatrix.h.

{ return X.begin(); }

begin() [3/4]

Container_t::iterator begin ( int  i )

inline

Definition at line 94 of file OhmmsMatrix.h.

{ return X.begin() + i * D2; }

begin() [4/4]

Container_t::const_iterator begin ( int  i ) const

inline

Definition at line 95 of file OhmmsMatrix.h.

{ return X.begin() + i * D2; }

cols()

size_type cols ( ) const

inline

Definition at line 78 of file OhmmsMatrix.h.

Referenced by Backflow_eI< FT >::acceptMove(), Backflow_eI_spin< FT >::acceptMove(), DelayedUpdate< T, T_FP >::acceptRow(), DelayedUpdateSYCL< T, T_FP >::acceptRow(), CSEnergyEstimator::accumulate(), Matrix< ST, qmcplusplus::Mallocator< ST > >::add(), MultiQuinticSpline1D< T >::add_spline(), Backflow_eI_spin< FT >::addFunc(), LeafFunctor< Matrix< T, Alloc >, SizeLeaf2 >::apply(), qmcplusplus::applyCuspCorrection(), Matrix< ST, qmcplusplus::Mallocator< ST > >::assignUpperLeft(), MultiQuinticSpline1D< T >::batched_evaluate(), MultiQuinticSpline1D< T >::batched_evaluateVGL(), ECPComponentBuilder::buildSO(), qmcplusplus::check_force_copy(), qmcplusplus::check_matrix(), DensityMatrices1B::compare(), LRBreakup< BreakupBasis >::DoAllBreakup(), LRBreakup< BreakupBasis >::DoBreakup(), ECPComponentBuilder::doBreakUp(), LRBreakup< BreakupBasis >::DoGradBreakup(), qmcplusplus::doSOECPotentialTest(), LRBreakup< BreakupBasis >::DoStrainBreakup(), StaticStructureFactor::evaluate(), qmcplusplus::evaluate(), MultiDiracDeterminant::evaluateDerivatives(), MultiDiracDeterminant::evaluateDerivativesWF(), qmcplusplus::generateCuspInfo(), DelayedUpdate< T, T_FP >::getInvRow(), DelayedUpdateSYCL< T, T_FP >::getInvRow(), qmcplusplus::testing::getParticularListener(), qmcplusplus::testing::getSummingListener(), h5data_proxy< Matrix< T > >::h5data_proxy(), qmcplusplus::InverseUpdateByRow(), DiracMatrixComputeOMPTarget< VALUE_FP >::invert_transpose(), DiracMatrix< VALUE_FP >::invert_transpose(), DiracMatrixComputeCUDA< VALUE_FP >::invert_transpose(), LCAOrbitalBuilder::LoadFullCoefsFromH5(), qmcplusplus::testing::makeRngSpdMatrix(), DelayedUpdateBatched< PL, VALUE >::mw_accept_rejectRow(), MultiDiracDeterminant::mw_buildTableMatrix_calculateGradRatios(), DelayedUpdateBatched< PL, VALUE >::mw_evalGrad(), DelayedUpdateBatched< PL, VALUE >::mw_evalGradWithSpin(), SpinorSet::mw_evaluateVGLWithSpin(), DelayedUpdateBatched< PL, VALUE >::mw_prepareInvRow(), ConstantSizeMatrix< FullPrecRealType, std::allocator< FullPrecRealType > >::operator=(), OutputMatrix::output(), LCAOSpinorBuilder::putFromH5(), LCAOrbitalBuilder::putFromH5(), DensityMatrices1B::report(), DensityMatrices1B::same(), qmcplusplus::saveCusp(), Eigensolver::solveGeneralizedEigenvalues(), Eigensolver::solveGeneralizedEigenvalues_Inv(), qmcplusplus::TEMPLATE_TEST_CASE(), TEST_CASE(), qmcplusplus::TEST_CASE(), qmcplusplus::test_DiracDeterminant_delayed_update(), qmcplusplus::test_DiracDeterminant_second(), qmcplusplus::test_DiracDeterminantBatched_delayed_update(), qmcplusplus::test_DiracDeterminantBatched_second(), DelayedUpdate< T, T_FP >::updateInvMat(), DelayedUpdateSYCL< T, T_FP >::updateInvMat(), and DelayedUpdateBatched< PL, VALUE >::updateRow().

{ return D2; }

copy()

void copy ( const This_t &  rhs )

inline

Definition at line 143 of file OhmmsMatrix.h.

Referenced by QMCFixedSampleLinearOptimizeBatched::one_shift_run(), QMCFixedSampleLinearOptimizeBatched::previous_linear_methods_run(), QMCFixedSampleLinearOptimize::run(), and QMCFixedSampleLinearOptimizeBatched::solveShiftsWithoutLMYEngine().

  {
    resize(rhs.D1, rhs.D2);
    assign(*this, rhs);
  }

data() [1/4]

pointer data ( )

inline

Definition at line 182 of file OhmmsMatrix.h.

Referenced by DelayedUpdate< T, T_FP >::acceptRow(), DelayedUpdateSYCL< T, T_FP >::acceptRow(), DelayedUpdateCUDA< T, T_FP >::acceptRow(), CSEnergyEstimator::accumulate(), MultiQuinticSpline1D< T >::add_spline(), Communicate::allreduce(), MultiQuinticSpline1D< T >::batched_evaluate(), MultiQuinticSpline1D< T >::batched_evaluateVGL(), DiracMatrixComputeOMPTarget< VALUE_FP >::computeInvertAndLog(), qmcplusplus::convertToReal(), LRBreakup< BreakupBasis >::DoAllBreakup(), LRBreakup< BreakupBasis >::DoBreakup(), LRBreakup< BreakupBasis >::DoGradBreakup(), LRBreakup< BreakupBasis >::DoStrainBreakup(), PWOrbitalSet::evaluate_notranspose(), PWRealOrbitalSet::evaluate_notranspose(), PWBasis::evaluateAll(), MultiDiracDeterminant::evaluateDerivatives(), MultiDiracDeterminant::evaluateDerivativesWF(), AGPDeterminant::evaluateLogAndStore(), SOECPComponent::evaluateValueAndDerivatives(), NonLocalECPComponent::evaluateValueAndDerivatives(), PWOrbitalSet::evaluateVGL(), PWRealOrbitalSet::evaluateVGL(), container_traits< Matrix< T, ALLOC > >::getElementPtr(), DelayedUpdate< T, T_FP >::getInvRow(), DelayedUpdateSYCL< T, T_FP >::getInvRow(), DelayedUpdateCUDA< T, T_FP >::getInvRow(), LinearMethod::getLowestEigenvector(), gsum(), DelayedUpdateSYCL< T, T_FP >::initializeInv(), DelayedUpdateCUDA< T, T_FP >::initializeInv(), qmcplusplus::InverseUpdateByColumn(), qmcplusplus::InverseUpdateByRow(), syclSolverInverter< T_FP >::invert_transpose(), cuSolverInverter< T_FP >::invert_transpose(), rocSolverInverter< T_FP >::invert_transpose(), DiracMatrixComputeOMPTarget< VALUE_FP >::invert_transpose(), DiracMatrix< VALUE_FP >::invert_transpose(), DiracMatrixComputeCUDA< VALUE_FP >::invert_transpose(), qmcplusplus::testing::makeRngSpdMatrix(), MultiDiracDeterminant::mw_buildTableMatrix_calculateGradRatios(), DelayedUpdateBatched< PL, VALUE >::mw_evalGradWithSpin(), h5data_proxy< Matrix< T > >::read(), DiracMatrixComputeOMPTarget< VALUE_FP >::reset(), Eigensolver::solveGeneralizedEigenvalues(), Eigensolver::solveGeneralizedEigenvalues_Inv(), qmcplusplus::TEMPLATE_TEST_CASE(), TEST_CASE(), qmcplusplus::TEST_CASE(), qmcplusplus::test_DiracDeterminant_delayed_update(), qmcplusplus::test_DiracDeterminant_second(), qmcplusplus::test_DiracDeterminantBatched_delayed_update(), qmcplusplus::test_DiracDeterminantBatched_second(), qmcplusplus::testDualAllocator(), DelayedUpdate< T, T_FP >::updateInvMat(), DelayedUpdateSYCL< T, T_FP >::updateInvMat(), DelayedUpdateCUDA< T, T_FP >::updateInvMat(), DelayedUpdateBatched< PL, VALUE >::updateRow(), and h5data_proxy< Matrix< T > >::write().

{ return X.data(); }

data() [2/4]

const_pointer data ( ) const

inline

Definition at line 185 of file OhmmsMatrix.h.

{ return X.data(); }

data() [3/4]

const Type_t* data ( size_type  i ) const

inline

Definition at line 199 of file OhmmsMatrix.h.

{ return X.data() + i * D2; }

data() [4/4]

Type_t* data ( size_type  i )

inline

returns a pointer of i-th row, g++ iterator problem

Definition at line 202 of file OhmmsMatrix.h.

{ return X.data() + i * D2; }

device_data() [1/2]

pointer device_data ( )

inline

Definition at line 188 of file OhmmsMatrix.h.

Referenced by DiracMatrixComputeCUDA< VALUE_FP >::invert_transpose(), DelayedUpdateBatched< PL, VALUE >::mw_accept_rejectRow(), DelayedUpdateBatched< PL, VALUE >::mw_evalGrad(), DelayedUpdateBatched< PL, VALUE >::mw_evalGradWithSpin(), DelayedUpdateBatched< PL, VALUE >::mw_prepareInvRow(), DelayedUpdateBatched< PL, VALUE >::mw_updateInvMat(), DelayedUpdateBatched< PL, VALUE >::mw_updateRow(), qmcplusplus::TEST_CASE(), and qmcplusplus::testDualAllocator().

  {
    return X.device_data();
  }

device_data() [2/2]

const_pointer device_data ( ) const

inline

Definition at line 193 of file OhmmsMatrix.h.

  {
    return X.device_data();
  }

end() [1/2]

Container_t::iterator end ( )

inline

Definition at line 90 of file OhmmsMatrix.h.

Referenced by MultiDiracDeterminant::acceptMove(), Communicate::allreduce(), AGPDeterminant::copyFromBuffer(), SpaceGrid::evaluate(), CountingGaussianRegion::evaluate(), CountingGaussianRegion::evaluate_print(), CountingJastrow< RegionType >::evaluateDerivatives(), TrialWaveFunction::evaluateDerivRatios(), CountingJastrow< RegionType >::evaluateExponents(), CountingJastrow< RegionType >::evaluateExponents_print(), LCAOHDFParser::getMO(), gsum(), SpaceGrid::put(), AGPDeterminant::registerData(), qmcplusplus::TEST_CASE(), and AGPDeterminant::updateBuffer().

{ return X.end(); }

end() [2/2]

Container_t::const_iterator end ( ) const

inline

Definition at line 92 of file OhmmsMatrix.h.

{ return X.end(); }

extent()

size_type extent ( int  i ) const

inline

Definition at line 82 of file OhmmsMatrix.h.

Referenced by MultiDiracDeterminant::buildTableMatrix_calculateRatios_impl().

{ return (i == 0) ? D1 : D2; }

first_address() [1/2]

pointer first_address ( )

inline

Definition at line 204 of file OhmmsMatrix.h.

Referenced by MultiDiracDeterminant::copyFromBuffer(), MultiDiracDeterminant::registerData(), and MultiDiracDeterminant::updateBuffer().

{ return X.data(); }

first_address() [2/2]

const_pointer first_address ( ) const

inline

Definition at line 207 of file OhmmsMatrix.h.

{ return X.data(); }

free()

void free ( )

inline

Definition at line 110 of file OhmmsMatrix.h.

{ X.free(); }

getMessage()

Msg& getMessage ( Msg &  m )

inline

Definition at line 363 of file OhmmsMatrix.h.

  {
    m.Unpack(X.data(), D1 * D2);
    return m;
  }

last_address() [1/2]

pointer last_address ( )

inline

Definition at line 209 of file OhmmsMatrix.h.

Referenced by MultiDiracDeterminant::copyFromBuffer(), MultiDiracDeterminant::registerData(), and MultiDiracDeterminant::updateBuffer().

{ return X.data() + TotSize; }

last_address() [2/2]

const Type_t* last_address ( ) const

inline

Definition at line 212 of file OhmmsMatrix.h.

{ return X.data() + TotSize; }

operator()() [1/4]

Type_t& operator() ( size_type  i )

inline

Definition at line 222 of file OhmmsMatrix.h.

  {
    return X[i];
  }

operator()() [2/4]

Type_t operator() ( size_type  i ) const

inline

Definition at line 229 of file OhmmsMatrix.h.

  {
    return X[i];
  }

operator()() [3/4]

Type_t& operator() ( size_type  i, size_type  j  )

inline

Definition at line 236 of file OhmmsMatrix.h.

  {
    return X[i * D2 + j];
  }

operator()() [4/4]

const Type_t& operator() ( size_type  i, size_type  j  ) const

inline

Definition at line 243 of file OhmmsMatrix.h.

  {
    return X[i * D2 + j];
  }

operator=() [1/2]

This_t& operator= ( const This_t &  rhs )

inline

Definition at line 166 of file OhmmsMatrix.h.

  {
    resize(rhs.D1, rhs.D2);
    if (qmc_allocator_traits<Alloc>::is_host_accessible)
      assign(*this, rhs);
    return *this;
  }

operator=() [2/2]

This_t& operator= ( const RHS &  rhs )

inline

Definition at line 175 of file OhmmsMatrix.h.

  {
    return assign(*this, rhs);
  }

operator[]() [1/2]

const Type_t* operator[] ( size_type  i ) const

inline

Definition at line 216 of file OhmmsMatrix.h.

{ return X.data() + i * D2; }

operator[]() [2/2]

Type_t* operator[] ( size_type  i )

inline

returns a pointer of i-th row, g++ iterator problem

Definition at line 219 of file OhmmsMatrix.h.

{ return X.data() + i * D2; }

putMessage()

Msg& putMessage ( Msg &  m )

inline

Definition at line 356 of file OhmmsMatrix.h.

  {
    m.Pack(X.data(), D1 * D2);
    return m;
  }

replaceColumn()

void replaceColumn ( IT  first, size_type  j  )

inline

Definition at line 277 of file OhmmsMatrix.h.

  {
    typename Container_t::iterator ii(X.begin() + j);
    for (int i = 0; i < D1; i++, ii += D2)
      *ii = *first++;
  }

replaceRow()

void replaceRow ( IT  first, size_type  i  )

inline

Definition at line 271 of file OhmmsMatrix.h.

  {
    std::copy(first, first + D2, X.begin() + i * D2);
  }

resize()

void resize ( size_type  n, size_type  m  )

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 99 of file OhmmsMatrix.h.

Referenced by CSEnergyEstimator::add2Record(), Backflow_ee< FT >::Backflow_ee(), Backflow_ee_kSpace::Backflow_ee_kSpace(), Backflow_eI_spin< FT >::Backflow_eI_spin(), BackflowTransformation::BackflowTransformation(), QMCCostFunctionBatched::checkConfigurations(), Matrix< ST, qmcplusplus::Mallocator< ST > >::copy(), LRBreakup< BreakupBasis >::DoAllBreakup(), LRBreakup< BreakupBasis >::DoBreakup(), LRBreakup< BreakupBasis >::DoGradBreakup(), LRBreakup< BreakupBasis >::DoStrainBreakup(), BackflowTransformation::evaluateDerivatives(), SOECPComponent::evaluateValueAndDerivatives(), NonLocalECPComponent::evaluateValueAndDerivatives(), FakeSPO::FakeSPO(), get_diamond_fill_data(), CountingGaussianRegion::initialize(), CountingJastrow< RegionType >::initialize(), DensityMatrices1B::initialize(), MultiQuinticSpline1D< T >::initialize(), SpaceGrid::initialize_rectilinear(), SpaceGrid::initialize_voronoi(), ForceCeperley::InitMatrix(), ForceChiesaPBCAA::InitMatrix(), DiracMatrix< VALUE_FP >::invert_transpose(), kSpaceJastrow::kSpaceJastrow(), LCAOrbitalBuilder::LoadFullCoefsFromH5(), LPQHIBasis::LPQHIBasis(), LPQHISRCoulombBasis::LPQHISRCoulombBasis(), ForceChiesaPBCAA::makeClone(), qmcplusplus::testing::makeRngSpdMatrix(), Matrix< ST, qmcplusplus::Mallocator< ST > >::Matrix(), MomentumDistribution::MomentumDistribution(), OneBodyDensityMatrices::OneBodyDensityMatrices(), Matrix< ST, qmcplusplus::Mallocator< ST > >::operator=(), EnergyDensityEstimator::put(), SpaceGrid::put(), MomentumEstimator::putSpecial(), h5data_proxy< Matrix< T > >::read(), SpaceGrid::registerCollectables(), BackflowTransformation::registerData(), NESpaceGrid< REAL >::registerGrid(), PWBasis::reset(), MomentumEstimator::resize(), container_traits< Matrix< T, ALLOC > >::resize(), AGPDeterminant::resize(), DelayedUpdate< T, T_FP >::resize(), PWOrbitalSet::resize(), PWRealOrbitalSet::resize(), PolynomialFunctor3D::resize(), DelayedUpdateSYCL< T, T_FP >::resize(), DelayedUpdateCUDA< T, T_FP >::resize(), PairCorrEstimator::resize(), StructFact::resize(), BackflowFunctionBase::resize(), MultiDiracDeterminant::resize(), CSUpdateBase::resizeWorkSpace(), PairCorrEstimator::set_norm_factor(), SoaCuspCorrection::SoaCuspCorrection(), SpaceWarpTransformation::SpaceWarpTransformation(), qmcplusplus::TEMPLATE_TEST_CASE(), qmcplusplus::TEST_CASE(), qmcplusplus::test_DiracDeterminant_delayed_update(), qmcplusplus::test_DiracDeterminant_first(), qmcplusplus::test_DiracDeterminant_second(), qmcplusplus::test_DiracDeterminantBatched_delayed_update(), qmcplusplus::test_DiracDeterminantBatched_first(), qmcplusplus::test_DiracDeterminantBatched_second(), qmcplusplus::test_inverse(), qmcplusplus::test_lcao_spinor(), qmcplusplus::test_lcao_spinor_excited(), BackflowTransformation::testDeriv(), qmcplusplus::testDualAllocator(), DiracDeterminantWithBackflow::testL(), BackflowTransformation::testPbyP(), and PWBasis::trimforecut().

  {
    static_assert(std::is_same<value_type, typename Alloc::value_type>::value,
                  "Matrix and Alloc data types must agree!");
    D1      = n;
    D2      = m;
    TotSize = n * m;
    X.resize(n * m);
  }

rows()

size_type rows ( ) const

inline

Definition at line 77 of file OhmmsMatrix.h.

Referenced by Backflow_ee< FT >::acceptMove(), Backflow_ee_kSpace::acceptMove(), DelayedUpdate< T, T_FP >::acceptRow(), DelayedUpdateSYCL< T, T_FP >::acceptRow(), DelayedUpdateCUDA< T, T_FP >::acceptRow(), Matrix< ST, qmcplusplus::Mallocator< ST > >::add(), LeafFunctor< Matrix< T, Alloc >, SizeLeaf2 >::apply(), qmcplusplus::applyCuspCorrection(), Matrix< ST, qmcplusplus::Mallocator< ST > >::assignUpperLeft(), qmcplusplus::check_force_copy(), qmcplusplus::check_matrix(), DensityMatrices1B::compare(), LRBreakup< BreakupBasis >::DoAllBreakup(), LRBreakup< BreakupBasis >::DoBreakup(), LRBreakup< BreakupBasis >::DoGradBreakup(), LRBreakup< BreakupBasis >::DoStrainBreakup(), qmcplusplus::evaluate(), MultiDiracDeterminant::evaluateDerivatives(), MultiDiracDeterminant::evaluateDerivativesWF(), qmcplusplus::generateCuspInfo(), EstimatorManagerBase::getData(), DelayedUpdate< T, T_FP >::getInvRow(), DelayedUpdateSYCL< T, T_FP >::getInvRow(), DelayedUpdateCUDA< T, T_FP >::getInvRow(), qmcplusplus::testing::getParticularListener(), qmcplusplus::testing::getSummingListener(), h5data_proxy< Matrix< T > >::h5data_proxy(), qmcplusplus::InverseUpdateByColumn(), syclSolverInverter< T_FP >::invert_transpose(), cuSolverInverter< T_FP >::invert_transpose(), rocSolverInverter< T_FP >::invert_transpose(), DiracMatrixComputeOMPTarget< VALUE_FP >::invert_transpose(), DiracMatrix< VALUE_FP >::invert_transpose(), DiracMatrixComputeCUDA< VALUE_FP >::invert_transpose(), LCAOrbitalBuilder::LoadFullCoefsFromH5(), Backflow_eI_spin< FT >::makeClone(), qmcplusplus::testing::makeRngSpdMatrix(), ConstantSizeMatrix< FullPrecRealType, std::allocator< FullPrecRealType > >::operator=(), OutputMatrix::output(), LCAOSpinorBuilder::putFromH5(), LCAOrbitalBuilder::putFromH5(), qmcplusplus::readCuspInfo(), DensityMatrices1B::report(), DensityMatrices1B::same(), qmcplusplus::saveCusp(), Eigensolver::solveGeneralizedEigenvalues(), Eigensolver::solveGeneralizedEigenvalues_Inv(), qmcplusplus::TEMPLATE_TEST_CASE(), TEST_CASE(), qmcplusplus::TEST_CASE(), qmcplusplus::test_DiracDeterminant_delayed_update(), qmcplusplus::test_DiracDeterminant_second(), qmcplusplus::test_DiracDeterminantBatched_delayed_update(), qmcplusplus::test_DiracDeterminantBatched_second(), DelayedUpdate< T, T_FP >::updateInvMat(), DelayedUpdateSYCL< T, T_FP >::updateInvMat(), DelayedUpdateCUDA< T, T_FP >::updateInvMat(), and DelayedUpdateBatched< PL, VALUE >::updateRow().

{ return D1; }

size() [1/2]

size_type size ( void  ) const

inline

Definition at line 76 of file OhmmsMatrix.h.

Referenced by Communicate::allreduce(), Backflow_eI_spin< FT >::Backflow_eI_spin(), MultiQuinticSpline1D< T >::batched_evaluate(), MultiQuinticSpline1D< T >::batched_evaluateVGL(), qmcplusplus::check_force_copy(), qmcplusplus::check_matrix(), Backflow_eI_spin< FT >::checkInVariables(), Backflow_eI_spin< FT >::checkOutVariables(), qmcplusplus::convertToReal(), BackflowTransformation::evaluateDerivatives(), SoaCuspCorrection::evaluateV(), DelayedUpdate< T, T_FP >::getInvRow(), DelayedUpdateSYCL< T, T_FP >::getInvRow(), container_traits< Matrix< T, ALLOC > >::getSize(), gsum(), Backflow_eI_spin< FT >::indexOffset(), CountingJastrow< RegionType >::initialize(), MultiQuinticSpline1D< T >::initialize(), DelayedUpdateSYCL< T, T_FP >::initializeInv(), DelayedUpdateCUDA< T, T_FP >::initializeInv(), syclSolverInverter< T_FP >::invert_transpose(), cuSolverInverter< T_FP >::invert_transpose(), rocSolverInverter< T_FP >::invert_transpose(), DiracMatrixComputeCUDA< VALUE_FP >::invert_transpose(), Backflow_eI_spin< FT >::isOptimizable(), qmcplusplus::testing::makeRngSpdMatrix(), ConstantSizeMatrix< FullPrecRealType, std::allocator< FullPrecRealType > >::operator=(), qmcplusplus::operator==(), qmcplusplus::operator>>(), putContent(), Backflow_eI_spin< FT >::reportStatus(), Backflow_eI_spin< FT >::resetParameters(), qmcplusplus::TEST_CASE(), BackflowTransformation::testDeriv(), Matrix< ST, qmcplusplus::Mallocator< ST > >::updateFrom(), DelayedUpdateSYCL< T, T_FP >::updateInvMat(), DelayedUpdateCUDA< T, T_FP >::updateInvMat(), Matrix< ST, qmcplusplus::Mallocator< ST > >::updateTo(), and Backflow_eI_spin< FT >::~Backflow_eI_spin().

{ return TotSize; }

size() [2/2]

size_type size ( int  i ) const

inline

Definition at line 81 of file OhmmsMatrix.h.

{ return (i == 0) ? D1 : D2; }

size1()

size_type size1 ( ) const

inline

Definition at line 79 of file OhmmsMatrix.h.

Referenced by NESpaceGrid< REAL >::accumulate(), QMCCostFunctionBatched::checkConfigurations(), and SpaceGrid::evaluate().

{ return D1; }

size2()

size_type size2 ( ) const

inline

Definition at line 80 of file OhmmsMatrix.h.

Referenced by NESpaceGrid< REAL >::accumulate(), and SpaceGrid::evaluate().

{ return D2; }

swap_cols()

void swap_cols ( int  c1, int  c2  )

inline

Definition at line 260 of file OhmmsMatrix.h.

  {
    for (int row = 0; row < D1; row++)
    {
      Type_t tmp       = (*this)(row, c1);
      (*this)(row, c1) = (*this)(row, c2);
      (*this)(row, c2) = tmp;
    }
  }

swap_rows()

void swap_rows ( int  r1, int  r2  )

inline

Definition at line 249 of file OhmmsMatrix.h.

Referenced by PolynomialFunctor3D::resize().

  {
    for (int col = 0; col < D2; col++)
    {
      Type_t tmp       = (*this)(r1, col);
      (*this)(r1, col) = (*this)(r2, col);
      (*this)(r2, col) = tmp;
    }
  }

updateFrom()

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

inline

Definition at line 376 of file OhmmsMatrix.h.

  {
    X.updateFrom(size, offset);
  }

updateTo()

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

inline

Definition at line 371 of file OhmmsMatrix.h.

Referenced by MultiQuinticSpline1D< T >::finalize(), DiracDeterminantBatched< PL, VT, FPVT >::invertPsiM(), and SpinorSet::mw_evaluateVGLWithSpin().

  {
    X.updateTo(size, offset);
  }

Member Data Documentation

D1

size_type D1

protected

Definition at line 382 of file OhmmsMatrix.h.

Referenced by Matrix< ST, qmcplusplus::Mallocator< ST > >::add(), Matrix< ST, qmcplusplus::Mallocator< ST > >::add2Column(), Matrix< ST, qmcplusplus::Mallocator< ST > >::attachReference(), Matrix< ST, qmcplusplus::Mallocator< ST > >::copy(), Matrix< ST, qmcplusplus::Mallocator< ST > >::extent(), Matrix< ST, qmcplusplus::Mallocator< ST > >::getMessage(), Matrix< ST, qmcplusplus::Mallocator< ST > >::Matrix(), Matrix< ST, qmcplusplus::Mallocator< ST > >::operator=(), Matrix< ST, qmcplusplus::Mallocator< ST > >::putMessage(), Matrix< ST, qmcplusplus::Mallocator< ST > >::replaceColumn(), Matrix< ST, qmcplusplus::Mallocator< ST > >::resize(), Matrix< ST, qmcplusplus::Mallocator< ST > >::rows(), Matrix< ST, qmcplusplus::Mallocator< ST > >::size(), Matrix< ST, qmcplusplus::Mallocator< ST > >::size1(), and Matrix< ST, qmcplusplus::Mallocator< ST > >::swap_cols().

D2

size_type D2

protected

Definition at line 382 of file OhmmsMatrix.h.

Referenced by Matrix< ST, qmcplusplus::Mallocator< ST > >::add(), Matrix< ST, qmcplusplus::Mallocator< ST > >::add2Column(), Matrix< ST, qmcplusplus::Mallocator< ST > >::attachReference(), Matrix< ST, qmcplusplus::Mallocator< ST > >::begin(), Matrix< ST, qmcplusplus::Mallocator< ST > >::cols(), Matrix< ST, qmcplusplus::Mallocator< ST > >::copy(), Matrix< ST, qmcplusplus::Mallocator< ST > >::data(), Matrix< ST, qmcplusplus::Mallocator< ST > >::extent(), Matrix< ST, qmcplusplus::Mallocator< ST > >::getMessage(), Matrix< ST, qmcplusplus::Mallocator< ST > >::Matrix(), Matrix< ST, qmcplusplus::Mallocator< ST > >::operator()(), Matrix< ST, qmcplusplus::Mallocator< ST > >::operator=(), Matrix< ST, qmcplusplus::Mallocator< ST > >::operator[](), Matrix< ST, qmcplusplus::Mallocator< ST > >::putMessage(), Matrix< ST, qmcplusplus::Mallocator< ST > >::replaceColumn(), Matrix< ST, qmcplusplus::Mallocator< ST > >::replaceRow(), Matrix< ST, qmcplusplus::Mallocator< ST > >::resize(), Matrix< ST, qmcplusplus::Mallocator< ST > >::size(), Matrix< ST, qmcplusplus::Mallocator< ST > >::size2(), and Matrix< ST, qmcplusplus::Mallocator< ST > >::swap_rows().

TotSize

size_type TotSize

protected

Definition at line 383 of file OhmmsMatrix.h.

Referenced by Matrix< ST, qmcplusplus::Mallocator< ST > >::attachReference(), Matrix< ST, qmcplusplus::Mallocator< ST > >::last_address(), Matrix< ST, qmcplusplus::Mallocator< ST > >::resize(), and Matrix< ST, qmcplusplus::Mallocator< ST > >::size().

X

Container_t X

protected

Definition at line 384 of file OhmmsMatrix.h.

Referenced by Matrix< ST, qmcplusplus::Mallocator< ST > >::add(), Matrix< ST, qmcplusplus::Mallocator< ST > >::add2Column(), Matrix< ST, qmcplusplus::Mallocator< ST > >::attachReference(), Matrix< ST, qmcplusplus::Mallocator< ST > >::begin(), Matrix< ST, qmcplusplus::Mallocator< ST > >::data(), Matrix< ST, qmcplusplus::Mallocator< ST > >::device_data(), Matrix< ST, qmcplusplus::Mallocator< ST > >::end(), Matrix< ST, qmcplusplus::Mallocator< ST > >::first_address(), Matrix< ST, qmcplusplus::Mallocator< ST > >::free(), Matrix< ST, qmcplusplus::Mallocator< ST > >::getMessage(), Matrix< ST, qmcplusplus::Mallocator< ST > >::last_address(), Matrix< ST, qmcplusplus::Mallocator< ST > >::operator()(), Matrix< ST, qmcplusplus::Mallocator< ST > >::operator[](), Matrix< ST, qmcplusplus::Mallocator< ST > >::putMessage(), Matrix< ST, qmcplusplus::Mallocator< ST > >::replaceColumn(), Matrix< ST, qmcplusplus::Mallocator< ST > >::replaceRow(), Matrix< ST, qmcplusplus::Mallocator< ST > >::resize(), Matrix< ST, qmcplusplus::Mallocator< ST > >::updateFrom(), and Matrix< ST, qmcplusplus::Mallocator< ST > >::updateTo().

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

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