grid_common.h File Reference

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Data Structures
struct	orbital
	Orbital angular momentum. More...

Macros
#define	GRID_STRINGIFY(SYMBOL)   #SYMBOL
#define	GRID_PRAGMA_SIMD(OBJS, N)    _Pragma(GRID_STRINGIFY(omp simd linear OBJS simdlen(N)))
#define	GRID_PRAGMA_UNROLL(N)   _Pragma(GRID_STRINGIFY(unroll(N)))
#define	GRID_PRAGMA_UNROLL_UP_TO(N)   _Pragma("unroll")
#define	GRID_HOST_DEVICE

Functions
static GRID_HOST_DEVICE double	fac (const int i)
	Factorial function, e.g. fac(5) = 5! = 120.
static GRID_HOST_DEVICE int	ncoset (const int l)
	Number of Cartesian orbitals up to given angular momentum quantum.
static GRID_HOST_DEVICE int	coset (int lx, int ly, int lz)
	Maps three angular momentum components to a single zero based index.
static GRID_HOST_DEVICE int	imin (int x, int y)
	Returns the smaller of two given integer (missing from the C standard)
static GRID_HOST_DEVICE int	imax (int x, int y)
	Returns the larger of two given integer (missing from the C standard)
static GRID_HOST_DEVICE int	modulo (int a, int m)
	Equivalent of Fortran's MODULO, which always return a positive number. https://gcc.gnu.org/onlinedocs/gfortran/MODULO.html.
static GRID_HOST_DEVICE orbital	up (const int i, const orbital a)
	Increase i'th component of given orbital angular momentum.
static GRID_HOST_DEVICE orbital	down (const int i, const orbital a)
	Decrease i'th component of given orbital angular momentum.
static GRID_HOST_DEVICE int	idx (const orbital a)
	Return coset index of given orbital angular momentum.

Macro Definition Documentation

GRID_STRINGIFY

#define GRID_STRINGIFY

(

SYMBOL

)

#SYMBOL

Definition at line 10 of file grid_common.h.

GRID_PRAGMA_SIMD

#define GRID_PRAGMA_SIMD	(		OBJS,
			N
	)		_Pragma(GRID_STRINGIFY(omp simd linear OBJS simdlen(N)))

Definition at line 21 of file grid_common.h.

GRID_PRAGMA_UNROLL

#define GRID_PRAGMA_UNROLL

(

N

)

_Pragma(GRID_STRINGIFY(unroll(N)))

Definition at line 37 of file grid_common.h.

GRID_PRAGMA_UNROLL_UP_TO

#define GRID_PRAGMA_UNROLL_UP_TO

(

N

)

_Pragma("unroll")

Definition at line 38 of file grid_common.h.

GRID_HOST_DEVICE

#define GRID_HOST_DEVICE

Definition at line 44 of file grid_common.h.

Function Documentation

fac()

static GRID_HOST_DEVICE double fac ( const int  i )

inlinestatic

Factorial function, e.g. fac(5) = 5! = 120.

Author

Ole Schuett

Definition at line 51 of file grid_common.h.

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ncoset()

static GRID_HOST_DEVICE int ncoset ( const int  l )

inlinestatic

Number of Cartesian orbitals up to given angular momentum quantum.

Author

Ole Schuett

Definition at line 76 of file grid_common.h.

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coset()

static GRID_HOST_DEVICE int coset ( int  lx, int  ly, int  lz  )

inlinestatic

Maps three angular momentum components to a single zero based index.

Author

Ole Schuett

Definition at line 90 of file grid_common.h.

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imin()

static GRID_HOST_DEVICE int imin ( int  x, int  y  )

inlinestatic

Returns the smaller of two given integer (missing from the C standard)

Author

Ole Schuett

Definition at line 103 of file grid_common.h.

imax()

static GRID_HOST_DEVICE int imax ( int  x, int  y  )

inlinestatic

Returns the larger of two given integer (missing from the C standard)

Author

Ole Schuett

Definition at line 111 of file grid_common.h.

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modulo()

static GRID_HOST_DEVICE int modulo ( int  a, int  m  )

inlinestatic

Equivalent of Fortran's MODULO, which always return a positive number. https://gcc.gnu.org/onlinedocs/gfortran/MODULO.html.

Author

Ole Schuett

Definition at line 120 of file grid_common.h.

up()

static GRID_HOST_DEVICE orbital up ( const int  i, const orbital  a  )

inlinestatic

Increase i'th component of given orbital angular momentum.

Author

Ole Schuett

Definition at line 136 of file grid_common.h.

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down()

static GRID_HOST_DEVICE orbital down ( const int  i, const orbital  a  )

inlinestatic

Decrease i'th component of given orbital angular momentum.

Author

Ole Schuett

Definition at line 146 of file grid_common.h.

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idx()

static GRID_HOST_DEVICE int idx ( const orbital  a )

inlinestatic

Return coset index of given orbital angular momentum.

Author

Ole Schuett

Definition at line 156 of file grid_common.h.