libint2::DerivMapGenerator Class Reference

This class statically initializes all index permutation maps for each BraKet type which requires them in Engine. More...

#include <deriv_map.h>

Static Public Member Functions
static void	initialize ()
static std::vector< Tensor< size_t > > &	braket_xx_xx ()
static std::vector< Tensor< size_t > > &	braket_xs_xx ()
static Tensor< size_t > &	instance (int deriv_order_, BraKet braket_)

Detailed Description

This class statically initializes all index permutation maps for each BraKet type which requires them in Engine.

A multidimensional array is created for all deriv_orders up to LIBINT2_MAX_DERIV_ORDER for each BraKet type. Each of these index permutation maps have 4 dimensions of size 2,2,2 and nderivs, where nderivs is the total number of geometric derivatives for this shell set at the particular order of differentiation. The 3 dimensions of size 2 each indicate whether the permutation has the effect of 1. swapping the bra and ket

1. swapping the bra and 3. swapping the ket. These maps are created when libint2::initialize() is called.

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The documentation for this class was generated from the following file:

• deriv_map.h