JDFTx  1.2.0
CoulombWire.h
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2 Copyright 2012 Ravishankar Sundararaman
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19 
20 #ifndef JDFTX_CORE_COULOMBWIRE_H
21 #define JDFTX_CORE_COULOMBWIRE_H
22 
23 #include <core/Coulomb.h>
24 #include <core/WignerSeitz.h>
25 
27 class CoulombWire : public Coulomb
28 {
29 public:
30  CoulombWire(const GridInfo& gInfoOrig, const CoulombParams& params);
31 protected:
33  std::shared_ptr<Ewald> createEwald(matrix3<> R, size_t nAtoms) const;
34 private:
35  WignerSeitz ws;
36  RealKernel Vc;
37 };
38 
41 {
42 public:
43  CoulombCylindrical(const GridInfo& gInfoOrig, const CoulombParams& params);
44 protected:
46  std::shared_ptr<Ewald> createEwald(matrix3<> R, size_t nAtoms) const;
47 private:
48  WignerSeitz ws;
49  double Rc;
50  RealKernel Vc;
51  friend struct ExchangeEval;
52 };
53 
54 #endif // JDFTX_CORE_COULOMBWIRE_H
Coulomb interaction for a 1D periodic system, truncated on the transverse Wigner-Seitz cell...
Definition: CoulombWire.h:27
Coulomb interaction for a 1D periodic system, truncated on a cylinder.
Definition: CoulombWire.h:40
Simulation grid descriptor.
Definition: GridInfo.h:45
Helper class for evaluating regularized Coulomb kernel for exchange.
Definition: Coulomb_ExchangeEval.h:27
std::shared_ptr< ScalarFieldTildeData > ScalarFieldTilde
A smart reference-counting pointer to ScalarFieldTildeData.
Definition: ScalarField.h:45
Definition: Coulomb.h:29
std::shared_ptr< Ewald > createEwald(matrix3<> R, size_t nAtoms) const
Abstract base class for the (optionally truncated) Coulomb interaction.
Definition: Coulomb.h:101
Wigner-Seitz construction for a 3D lattice (2D lattice may be handled with orthogonal 3rd direction) ...
Definition: WignerSeitz.h:32
Special class for storing real reciprocal-space kernels encountered ever so often for convolutions...
Definition: ScalarField.h:180
ScalarFieldTilde apply(ScalarFieldTilde &&) const