LIBINT  2.6.0
Static Public Member Functions | List of all members
libint2::GenericGaussDeriv< L, vectorize > Struct Template Reference

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#include <GenericGaussDeriv.h>

Static Public Member Functions

static void compute (const Libint_t *inteval, LIBINT2_REALTYPE *target, const LIBINT2_REALTYPE *src0, const LIBINT2_REALTYPE *src1, unsigned int highdim, unsigned int lowdim, unsigned int dir, const LIBINT2_REALTYPE(&two_alpha)[LIBINT2_MAX_VECLEN])
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Detailed Description

template<int L, bool vectorize>
struct libint2::GenericGaussDeriv< L, vectorize >

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d a / d r_dir ... ) src0 = ( ... a+1 ... ) src1 = ( ... a-1 ... )

Member Function Documentation

◆ compute()

template<int L, bool vectorize>
void libint2::GenericGaussDeriv< L, vectorize >::compute ( const Libint_t *  inteval,
LIBINT2_REALTYPE *  target,
const LIBINT2_REALTYPE *  src0,
const LIBINT2_REALTYPE *  src1,
unsigned int  highdim,
unsigned int  lowdim,
unsigned int  dir,
const LIBINT2_REALTYPE(&)  two_alpha[LIBINT2_MAX_VECLEN] 
)
static

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d a / d r_dir ... ) src0 = ( ... a+1 ... ) src1 = ( ... a-1 ... )

Parameters
highdimnumber of functions more significant than this shell
lowdimnumber of functions less significant than this shell
dirCartesian direction of the derivative (0, 1, 2)
two_alphaThe gaussian exponent of the function being differentiated)

The documentation for this struct was generated from the following files: