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QMCPACK
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Classes | |
struct | TinyVector< T, N, base_type > |
struct | TinyMatrix< T, N1, N2, base_type > |
struct | Array< T, D, ALLOC > |
A D-dimensional Array class based on PETE. More... | |
struct | Array< T, 1, base_type > |
struct | Range |
class | nilArraySection |
class | SliceInfo< Args > |
class | neverDeleteData_t |
class | SymmArray< T > |
Macros | |
#define | NAN sqrt(-1.0) |
Typedefs | |
using | scalar = double |
using | Vec1 = TinyVector< scalar, 1 > |
using | Vec2 = TinyVector< scalar, 2 > |
using | Vec3 = TinyVector< scalar, 3 > |
using | Vec4 = TinyVector< scalar, 4 > |
using | Mat2 = TinyMatrix< scalar, 2, 2 > |
using | Mat3 = TinyMatrix< scalar, 3, 3 > |
using | cVec3 = TinyVector< std::complex< double >, 3 > |
using | cMat3 = TinyMatrix< std::complex< double >, 3, 3 > |
Functions | |
template<class T , int size> | |
TinyVector< T, size > | operator- (TinyVector< T, size > v) |
Vec2 | operator* (const Vec2 &v, scalar s) |
Vec2 | operator* (scalar s, const Vec2 &v) |
Vec2 | operator+ (const Vec2 &v1, const Vec2 &v2) |
Vec2 | operator- (const Vec2 &v1, const Vec2 &v2) |
Vec3 | operator* (scalar s, const Vec3 &v) |
Vec3 | operator* (const Vec3 &v, scalar s) |
Vec3 | operator+ (const Vec3 &v1, const Vec3 &v2) |
Vec3 | operator- (const Vec3 &v1, const Vec3 &v2) |
Vec4 | operator* (scalar s, const Vec4 &v) |
Vec4 | operator* (const Vec4 &v, scalar s) |
Vec4 | operator+ (const Vec4 &v1, const Vec4 &v2) |
Vec4 | operator- (const Vec4 &v1, const Vec4 &v2) |
Mat3 | operator* (scalar s, const Mat3 &M) |
Mat3 | operator* (const Mat3 &A, const Mat3 &B) |
Mat3 | operator+ (const Mat3 &A, const Mat3 &B) |
Mat3 | operator- (const Mat3 &A, const Mat3 &B) |
Vec3 | operator* (const Mat3 &A, const Vec3 &v) |
Vec3 | operator* (const Vec3 &v, const Mat3 &A) |
cMat3 | operator+ (const cMat3 &A, const cMat3 &B) |
cMat3 | operator- (const cMat3 &A, const cMat3 &B) |
cMat3 & | operator+= (cMat3 &A, const cMat3 &B) |
cMat3 & | operator-= (cMat3 &A, const cMat3 &B) |
double | operator* (const Vec3 &v1, const Vec3 &v2) |
cMat3 | operator* (std::complex< double > z, const Mat3 &A) |
cMat3 | operator* (const Mat3 &A, std::complex< double > z) |
cVec3 | operator* (const cMat3 &A, const cVec3 &x) |
double | distSqrd (Vec2 a, Vec2 b) |
void | Vec2Array (Array< Vec2, 1 > &vec, Array< double, 1 > &array) |
void | Vec2Array (Array< Vec3, 1 > &vec, Array< double, 1 > &array) |
void | Array2Vec (Array< double, 1 > &array, Array< Vec2, 1 > &vec) |
void | Array2Vec (Array< double, 1 > &array, Array< Vec3, 1 > &vec) |
void | Vec2Array (Array< Vec2, 1 > &vec, Array< double, 2 > &array) |
void | Vec2Array (Array< Vec3, 1 > &vec, Array< double, 2 > &array) |
void | Array2Vec (Array< double, 2 > &array, Array< Vec2, 1 > &vec) |
void | Array2Vec (Array< double, 2 > &array, Array< Vec3, 1 > &vec) |
Array< Vec3, 1 > | operator+ (const Array< Vec3, 1 > &array, Vec3 vec) |
Array< Vec3, 1 > | operator+ (Vec3 vec, const Array< Vec3, 1 > &array) |
template<typename T , int N> | |
bool | operator== (const TinyVector< T, N > &a, const TinyVector< T, N > &b) |
template<typename T , int N> | |
bool | operator!= (const TinyVector< T, N > &a, const TinyVector< T, N > &b) |
template<typename T1 , typename T2 > | |
void | copy (const Array< T1, 3 > &src, Array< T2, 3 > &dest) |
std::complex< float > | operator+ (std::complex< float > z, double r) |
double | det (const Mat3 &A) |
Mat3 | Inverse (const Mat3 &A) |
Mat3 | Transpose (const Mat3 &A) |
Variables | |
constexpr class neverDeleteData_t | neverDeleteData |
class nilArraySection |
class SliceInfo |
class neverDeleteData_t |
using cMat3 = TinyMatrix<std::complex<double>, 3, 3> |
using cVec3 = TinyVector<std::complex<double>, 3> |
using Mat2 = TinyMatrix<scalar, 2, 2> |
using Mat3 = TinyMatrix<scalar, 3, 3> |
using Vec1 = TinyVector<scalar, 1> |
using Vec2 = TinyVector<scalar, 2> |
using Vec3 = TinyVector<scalar, 3> |
using Vec4 = TinyVector<scalar, 4> |
Definition at line 557 of file Blitz.h.
References Array< T, D, ALLOC >::data(), Array< T, D, ALLOC >::extent(), and Array< T, D, ALLOC >::size().
Definition at line 563 of file Blitz.h.
References Array< T, D, ALLOC >::data(), Array< T, D, ALLOC >::extent(), and Array< T, D, ALLOC >::size().
Definition at line 592 of file Blitz.h.
References Array< T, D, ALLOC >::data(), Array< T, D, ALLOC >::extent(), and Array< T, D, ALLOC >::size().
Definition at line 599 of file Blitz.h.
References Array< T, D, ALLOC >::data(), Array< T, D, ALLOC >::extent(), and Array< T, D, ALLOC >::size().
Definition at line 639 of file Blitz.h.
References Array< T, D, ALLOC >::extent(), and Array< T, D, ALLOC >::shape().
Referenced by AGPDeterminant::acceptMove(), BackflowTransformation::acceptMove(), MultiDiracDeterminant::acceptMove(), CSEnergyEstimator::accumulate(), Communicate::allreduce(), SolveFirstDerivInterp1D< float >::apply(), SolveFirstDerivInterp1D< std::complex< float > >::apply(), Array< T, D >::Array(), OneDimLinearSpline< Td, Tg, CTd, CTg >::assign(), NumericalGrid< T, CT >::assign(), BranchIO< SFNB >::bcast_state(), ECPComponentBuilder::buildSemiLocalAndLocal(), ForwardWalking::calculate(), QMCCostFunction::checkConfigurations(), EstimatorManagerBase::collectBlockAverages(), DescentEngine::computeFinalizationUncertainties(), container_proxy< std::vector< bool > >::container_proxy(), CoulombPotential< T >::CoulombPotential(), PWOrbitalSetBuilder::createPW(), cubicBSpline::cubicBSpline(), EstimatorManagerInput::EstimatorManagerInput(), SkEstimator::evaluate(), SkAllEstimator::evaluate(), CountingGaussianRegion::evaluate_print(), CountingGaussian::evaluate_print(), CountingJastrow< RegionType >::evaluateDerivatives(), CountingJastrow< RegionType >::evaluateExponents_print(), BackflowTransformation::evaluatePbyPAll(), BackflowTransformation::evaluatePbyPWithGrad(), CountingGaussianRegion::evaluateTemp_print(), CountingJastrow< RegionType >::evaluateTempExponents_print(), CompositeSPOSet::evaluateValue(), CompositeSPOSet::evaluateVGL(), CompositeSPOSet::evaluateVGL_spin(), PooledData< RealType >::get(), get_diamond_fill_data(), LCAOHDFParser::getMO(), gsum(), qmcplusplus::MatrixOperators::insert_columns(), StdRandom< RngValueType< T > >::load(), main(), EstimatorManagerNew::makeBlockAverages(), OneDimCubicSpline< T >::OneDimCubicSpline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::OneDimQuinticSpline(), qmcplusplus::operator<<(), ConstantSizeMatrix< FullPrecRealType, std::allocator< FullPrecRealType > >::operator=(), Array< T, D >::operator=(), TraceSamples< std::complex< TraceReal > >::order_by_size(), PairCorrEstimator::PairCorrEstimator(), GaussianFCHKParser::parse(), PooledData< RealType >::print(), PooledData< RealType >::put(), WalkerConfigurations::putConfigurations(), LCAOSpinorBuilder::putFromH5(), LCAOrbitalBuilder::putFromH5(), LCAOrbitalBuilder::putFromXML(), LCAOrbitalBuilder::putPBCFromH5(), AGPDeterminant::ratioDown(), DiracDeterminantWithBackflow::ratioGrad(), AGPDeterminant::ratioUp(), h5data_proxy< bool >::read(), h5data_proxy< Array< T, D > >::read(), HDFWalkerInput_0_4::read_hdf5(), HDFWalkerInput_0_4::read_hdf5_scatter(), HDFWalkerInput_0_4::read_phdf5(), RandomNumberControl::read_rank_0(), Matrix< ST, qmcplusplus::Mallocator< ST > >::replaceRow(), VMC::resetRun(), CSVMC::resetRun(), DMC::resetUpdateEngines(), AGPDeterminant::restore(), StdRandom< RngValueType< T > >::save(), QMCHamiltonian::saveProperty(), ObservableHelper::set_dimensions(), MomentumEstimator::setObservables(), SkEstimator::setObservables(), SpeciesKineticEnergy::setObservables(), SkAllEstimator::setObservables(), LatticeDeviationEstimator::setObservables(), ForwardWalking::setObservables(), MomentumEstimator::setParticlePropertyList(), SkEstimator::setParticlePropertyList(), SkAllEstimator::setParticlePropertyList(), ForwardWalking::setParticlePropertyList(), QMCHamiltonian::setProperty(), RotatedSPOs::setRotationParameters(), StdRandom< RngValueType< T > >::StdRandom(), qmcplusplus::TEST_CASE(), EinsplineSetBuilder::TileIons(), h5data_proxy< bool >::write(), and container_proxy< std::vector< bool > >::~container_proxy().
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Definition at line 654 of file Blitz.h.
References qmcplusplus::Units::distance::A.
Referenced by Inverse().
Definition at line 660 of file Blitz.h.
References qmcplusplus::Units::distance::A, and det().
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Definition at line 233 of file Blitz.h.
References qmcplusplus::Units::time::s.
Definition at line 261 of file Blitz.h.
References qmcplusplus::Units::time::s.
Definition at line 270 of file Blitz.h.
References qmcplusplus::Units::time::s.
Definition at line 299 of file Blitz.h.
References qmcplusplus::Units::time::s.
Definition at line 309 of file Blitz.h.
References qmcplusplus::Units::time::s.
Definition at line 341 of file Blitz.h.
References qmcplusplus::Units::time::s.
Definition at line 356 of file Blitz.h.
References qmcplusplus::Units::distance::A, B(), and qmcplusplus::Units::charge::C.
Definition at line 390 of file Blitz.h.
References qmcplusplus::Units::distance::A.
Definition at line 399 of file Blitz.h.
References qmcplusplus::Units::distance::A.
Definition at line 468 of file Blitz.h.
References qmcplusplus::Units::distance::A.
Definition at line 485 of file Blitz.h.
References qmcplusplus::Units::distance::A.
Definition at line 243 of file Blitz.h.
Definition at line 280 of file Blitz.h.
Definition at line 320 of file Blitz.h.
Definition at line 371 of file Blitz.h.
References qmcplusplus::Units::distance::A, and B().
Definition at line 408 of file Blitz.h.
References qmcplusplus::Units::distance::A, and B().
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Definition at line 438 of file Blitz.h.
References qmcplusplus::Units::distance::A, and B().
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Definition at line 214 of file Blitz.h.
Definition at line 252 of file Blitz.h.
Definition at line 289 of file Blitz.h.
Definition at line 330 of file Blitz.h.
Definition at line 381 of file Blitz.h.
References qmcplusplus::Units::distance::A, and B().
Definition at line 423 of file Blitz.h.
References qmcplusplus::Units::distance::A, and B().
Definition at line 452 of file Blitz.h.
References qmcplusplus::Units::distance::A, and B().
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Definition at line 676 of file Blitz.h.
References qmcplusplus::Units::distance::A.
Definition at line 538 of file Blitz.h.
References Array< T, D, ALLOC >::data(), Array< T, D, ALLOC >::extent(), and Array< T, D, ALLOC >::size().
Definition at line 544 of file Blitz.h.
References Array< T, D, ALLOC >::extent(), and Array< T, D, ALLOC >::size().
Definition at line 570 of file Blitz.h.
References Array< T, D, ALLOC >::data(), Array< T, D, ALLOC >::extent(), and Array< T, D, ALLOC >::size().
Definition at line 577 of file Blitz.h.
References Array< T, D, ALLOC >::extent(), and Array< T, D, ALLOC >::size().
constexpr class neverDeleteData_t neverDeleteData |
Referenced by IOTreeClass::WriteVar().