ergo
Dft::GridParams Struct Reference

A structure describing the grid settings. More...

#include <grid_params.h>

List of all members.

Public Types

enum  RadialScheme { GC2, LMG, TURBO }
enum  GridType { TYPE_STANDARD, TYPE_HICU }

Public Member Functions

 GridParams (ergo_real r_=1e-9, int a1=6, int a2=30, ergo_real bs=5.0, bool cubic=false, ergo_real hicume=1e-7, ergo_real hicubs=1.5, ergo_real hicusbsd=0, int hicuerrpervol=0, int hicudodoublecheck=1, int hicuctr=0, int hicuuec=0, int hicuueco=0, int hicudovarcheck=0)

Public Attributes

ergo_real boxSize
 All the dimensions of the smallest box must be below this threshold.
ergo_real radint
int angmin
int angmax
RadialScheme radialGridScheme
GridType gridType
bool cubicBoxes
 whether cubic grid boxes should be enforced.
HiCuGridParams hicuParams

Detailed Description

A structure describing the grid settings.


Member Enumeration Documentation

Enumerator:
TYPE_STANDARD 
TYPE_HICU 
Enumerator:
GC2 
LMG 
TURBO 

Constructor & Destructor Documentation

Dft::GridParams::GridParams ( ergo_real  r_ = 1e-9,
int  a1 = 6,
int  a2 = 30,
ergo_real  bs = 5.0,
bool  cubic = false,
ergo_real  hicume = 1e-7,
ergo_real  hicubs = 1.5,
ergo_real  hicusbsd = 0,
int  hicuerrpervol = 0,
int  hicudodoublecheck = 1,
int  hicuctr = 0,
int  hicuuec = 0,
int  hicuueco = 0,
int  hicudovarcheck = 0 
) [inline, explicit]

Member Data Documentation

All the dimensions of the smallest box must be below this threshold.

The time goes quickly up as a function of box size. Tweak it with an uttermost caution.

whether cubic grid boxes should be enforced.

Not needed apart from testing.


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