naive_non_cache Struct Reference

#include <naive_non_cache.h>

Inheritance diagram for naive_non_cache:

Collaboration diagram for naive_non_cache:

Public Member Functions
	naive_non_cache (const precalculate *p_)
virtual fl	eval (const model &m, fl v) const
virtual fl	eval_deriv (model &m, fl v) const

Private Attributes
const precalculate *	p

Constructor & Destructor Documentation

naive_non_cache::naive_non_cache

(

const precalculate *

p_

)

Member Function Documentation

fl naive_non_cache::eval ( const model &  m, fl  v  ) const

virtual

Implements igrid.

References precalculate::atom_typing_used(), model::atoms, atom::coords, model::coords, curl(), precalculate::cutoff_sqr(), precalculate::eval_fast(), atom_type::get(), get_type_pair_index(), model::grid_atoms, num_atom_types(), model::num_movable_atoms(), p, sqr(), VINA_FOR, and VINA_FOR_IN.

Here is the call graph for this function:

virtual fl naive_non_cache::eval_deriv ( model &  m, fl  v  ) const

inlinevirtual

Implements igrid.

References VINA_CHECK.

Member Data Documentation

const precalculate* naive_non_cache::p

private

Referenced by eval().

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

• naive_non_cache.h
• naive_non_cache.cpp