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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
 

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