DFT-EFE
 
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dftefe::electrostatics Namespace Reference

Namespaces

namespace  LaplaceOperatorContextFEInternal
 
namespace  PoissonLinearSolverFunctionFEInternal
 
namespace  PoissonSolverDealiiMatrixFreeFEInternal
 

Classes

class  LaplaceOperatorContextFE
 A derived class of linearAlgebra::OperatorContext to encapsulate the action of a discrete operator on vectors, matrices, etc. More...
 
class  PoissonLinearSolverFunctionFE
 A derived class of linearAlgebra::LinearSolverFunction to encapsulate the Poisson partial differential equation (PDE) discretized in a finite element (FE) basis. The Possion PDE is given as: \(\nabla^2 v(\textbf{r}) = -4 \pi \rho(\textbf{r})$\f with the boundary condition on \)@_fakenlv(\textbf{r})|_{\partial \Omega}=g(\textbf{r})$\f ( \(\\partial Omega$\f denoting the boundary of a domain \)\Omega$\f). Here \(v$\f has the physical notion of a potential (e.g., Hartree potential, nuclear potential, etc.) arising due to a charge distributin \)\rho$\f. More...
 
class  PoissonSolverDealiiMatrixFreeFE
 A derived class of linearAlgebra::LinearSolverFunction to encapsulate the Poisson partial differential equation (PDE) discretized in a finite element (FE) basis. The Possion PDE is given as: \(\nabla^2 v(\textbf{r}) = -4 \pi \rho(\textbf{r})$\f with the boundary condition on \)@_fakenlv(\textbf{r})|_{\partial \Omega}=g(\textbf{r})$\f ( \(\\partial Omega$\f denoting the boundary of a domain \)\Omega$\f). Here \(v$\f has the physical notion of a potential (e.g., Hartree potential, nuclear potential, etc.) arising due to a charge distributin \)\rho$\f. More...
 

Functions

void applyPreconditionAndComputeDotProductDevice (double *d_dvec, double *d_devSum, const double *d_rvec, const double *d_jacobi, const size_type N)
 Combines precondition and dot product. More...
 
void applyPreconditionComputeDotProductAndSaddDevice (double *d_qvec, double *d_devSum, const double *d_rvec, const double *d_jacobi, const size_type N)
 Combines precondition, sadd and dot product. More...
 
void scaleXRandComputeNormDevice (double *x, double *d_rvec, double *d_devSum, const double *d_qvec, const double *d_dvec, const double alpha, const size_type N)
 Combines scaling and norm. More...
 
void saddDevice (double *y, double *x, const double beta, const size_type size)
 

Variables

static constexpr utils::MemorySpace memorySpaceHost
 

Function Documentation

◆ applyPreconditionAndComputeDotProductDevice()

void dftefe::electrostatics::applyPreconditionAndComputeDotProductDevice ( double *  d_dvec,
double *  d_devSum,
const double *  d_rvec,
const double *  d_jacobi,
const size_type  N 
)

Combines precondition and dot product.

◆ applyPreconditionComputeDotProductAndSaddDevice()

void dftefe::electrostatics::applyPreconditionComputeDotProductAndSaddDevice ( double *  d_qvec,
double *  d_devSum,
const double *  d_rvec,
const double *  d_jacobi,
const size_type  N 
)

Combines precondition, sadd and dot product.

◆ saddDevice()

void dftefe::electrostatics::saddDevice ( double *  y,
double *  x,
const double  beta,
const size_type  size 
)
Here is the caller graph for this function:

◆ scaleXRandComputeNormDevice()

void dftefe::electrostatics::scaleXRandComputeNormDevice ( double *  x,
double *  d_rvec,
double *  d_devSum,
const double *  d_qvec,
const double *  d_dvec,
const double  alpha,
const size_type  N 
)

Combines scaling and norm.

Variable Documentation

◆ memorySpaceHost

constexpr utils::MemorySpace dftefe::electrostatics::memorySpaceHost
staticconstexpr
Initial value:
=
utils::MemorySpace::HOST