occ::qm::cosx::GridBatches Struct Reference

The exchange grid in point batches: every atomic grid's points and weights concatenated, each batch a contiguous (start, count) range of one atom's points. More...

#include <seminumerical_exchange.h>

Public Attributes
occ::Mat3N	points
occ::Vec	weights
std::vector< std::pair< Eigen::Index, Eigen::Index > >	ranges

Detailed Description

The exchange grid in point batches: every atomic grid's points and weights concatenated, each batch a contiguous (start, count) range of one atom's points.

Member Data Documentation

points

occ::Mat3N occ::qm::cosx::GridBatches::points

ranges

std::vector<std::pair<Eigen::Index, Eigen::Index> > occ::qm::cosx::GridBatches::ranges

weights

occ::Vec occ::qm::cosx::GridBatches::weights

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

• /home/runner/work/occ/occ/include/occ/qm/seminumerical_exchange.h