stormm::topology::CmapTerm< T > Struct Template Reference

Unguarded struct to store the ingredients of a single CMAP interaction. More...

#include <atomgraph_abstracts.h>

Public Attributes
int	i_atom
	First atom in the first dihedral term.
int	j_atom
	Second atom in the first dihedral term, or first atom in the second.
int	k_atom
	Third atom in the first dihedral term, or second atom in the second.
int	l_atom
	Fourth atom in the first dihedral term, or third atom in the second.
int	m_atom
	Fourth atom in the second dihedral term.
int	surf_idx
int	surf_dim
	Dimension of the (square, periodic) CMAP potential grid.
T *	surf
	Pointer to the surface potential values (stored in column-major format)

Detailed Description

template<typename T>
struct stormm::topology::CmapTerm< T >

Unguarded struct to store the ingredients of a single CMAP interaction.

Member Data Documentation

surf_idx

template<typename T>

int stormm::topology::CmapTerm< T >::surf_idx

Surface term index (for tracing purposes–dimensions of a CMAP and a pointer to it are given next)

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

• src/Topology/atomgraph_abstracts.h