rints.h File Reference

#include <occ/ints/boys.h>
#include <array>
#include <cmath>

Include dependency graph for rints.h:

This graph shows which files directly or indirectly include this file:

Classes
struct	occ::ints::RInts< T, L >
struct	occ::ints::RIntsDynamic< T >

Namespaces
namespace	occ
namespace	occ::ints
	Effective core potential (ECP) integrals over Cartesian Gaussians.

Macros
#define	OCC_GPU_ENABLED
#define	OCC_GPU_INLINE   inline

Functions
constexpr int	occ::ints::nherm (int L)
constexpr int	occ::ints::nhermsum (int L)
OCC_GPU_ENABLED OCC_GPU_INLINE constexpr int	occ::ints::hermite_index (int t, int u, int v)
template<typename T, int L, typename BoysParams>
OCC_GPU_ENABLED void	occ::ints::compute_r_ints (const T *boys_table, T p, T PCx, T PCy, T PCz, RInts< T, L > &R)
template<typename T, int L>
OCC_GPU_ENABLED void	occ::ints::compute_r_ints (const T *boys_table, T p, T PCx, T PCy, T PCz, T *R_out)
template<typename T, typename BoysParams>
OCC_GPU_ENABLED void	occ::ints::compute_r_ints_dynamic (const T *boys_table, int L, T p, T PCx, T PCy, T PCz, RIntsDynamic< T > &R)

Variables
constexpr int	occ::ints::RINTS_LMAX = 15
constexpr int	occ::ints::RINTS_MAX_SIZE = nhermsum(RINTS_LMAX)

Macro Definition Documentation

OCC_GPU_ENABLED

#define OCC_GPU_ENABLED

OCC_GPU_INLINE

#define OCC_GPU_INLINE   inline