38#if !defined(_GRID_PARAMS_H_)
39#define _GRID_PARAMS_H_ 1
79 int hicuerrpervol = 0,
80 int hicudodoublecheck = 1,
81 int hicuctr = 0,
int hicuuec = 0,
int hicuueco = 0,
82 int hicudovarcheck = 0)
89 hicuParams.use_error_per_volume = hicuerrpervol;
90 hicuParams.do_double_checking = hicudodoublecheck;
93 hicuParams.use_energy_criterion_only = hicuueco;
94 hicuParams.do_variation_checking = hicudovarcheck;
Implements shared parts of the grid generation code.
Definition grid_matrix.h:42
double ergo_real
Definition realtype.h:69
RadialScheme
Definition grid_params.h:67
@ TURBO
Definition grid_params.h:67
@ LMG
Definition grid_params.h:67
@ GC2
Definition grid_params.h:67
RadialScheme radialGridScheme
Definition grid_params.h:69
int angmin
Definition grid_params.h:65
HiCuGridParams hicuParams
Definition grid_params.h:74
int angmax
Definition grid_params.h:66
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)
Definition grid_params.h:75
ergo_real boxSize
All the dimensions of the smallest box must be below this threshold.
Definition grid_params.h:63
ergo_real radint
Definition grid_params.h:64
bool cubicBoxes
whether cubic grid boxes should be enforced.
Definition grid_params.h:71
GridType
Definition grid_params.h:68
@ TYPE_STANDARD
Definition grid_params.h:68
@ TYPE_HICU
Definition grid_params.h:68
GridType gridType
Definition grid_params.h:70
A structure describing the HiCu grid settings.
Definition grid_params.h:46
int compare_to_refined
Definition grid_params.h:52
ergo_real start_box_size_debug
Definition grid_params.h:49
int use_energy_criterion
Definition grid_params.h:53
int use_energy_criterion_only
Definition grid_params.h:54
ergo_real box_size
Definition grid_params.h:48
ergo_real maxError
Definition grid_params.h:47
int use_error_per_volume
Definition grid_params.h:50
int do_variation_checking
Definition grid_params.h:55
int do_double_checking
Definition grid_params.h:51
RadialScheme describes the radial grid.
Definition grid_atomic.h:50