32 #if !defined(_GRID_ATOMIC_H_) 33 #define _GRID_ATOMIC_H_ 1 Definition: grid_atomic.h:66
double ergo_real
Definition: realtype.h:53
RadialScheme(const char *n)
Definition: grid_atomic.h:51
int maxL
Definition: grid_atomic.h:84
int gridSize
Definition: grid_atomic.h:50
const real BraggRadii[]
vector of atoms' Bragg radii.
Definition: grid_atomic.cc:37
ergo_long_real long_real
Definition: grid_atomic.h:41
RadialSchemeGC2()
Definition: grid_atomic.h:60
const char * name
Definition: grid_atomic.h:49
Grid Generator interface.
Definition: grid_atomic.h:58
void * quadData
Definition: grid_atomic.h:59
virtual void generate(real *r, real *w)=0
int * nucorb
Definition: grid_atomic.h:82
Definition: grid_atomic.h:74
int size() const
Definition: grid_atomic.h:52
double ergo_long_real
Definition: realtype.h:54
ergo_real real
Definition: grid_atomic.h:40
virtual void init(int myNumber, int charge, real threshold)=0
ergo_real real
Definition: cubature_rules.h:33
Header file with typedefs for matrix and vector types.
GridGenMolInfo is an abstract class providing information about the molecule so that the grid generat...
Definition: grid_interface.h:43
RadialScheme describes the radial grid.
Definition: grid_atomic.h:48
real zeta
Definition: grid_atomic.h:67
int charge
Definition: grid_test.cc:49
RadialSchemeTurbo()
Definition: grid_atomic.h:68
const unsigned BraggSize
Number of defined elements in BraggRadii array.
Definition: grid_atomic.cc:73
virtual ~RadialScheme()
Definition: grid_atomic.h:55
const GridGenMolInfo & ggmi
Definition: grid_atomic.h:81
real rl
Definition: grid_atomic.h:86