Description

Struct for thread local work data for local topology generation.

Public Member Functions
	thread_work_t (const gmx_ffparams_t &ffparams)
	Constructor. More...

Public Attributes
InteractionDefinitions	idef
	Partial local topology.

std::unique_ptr< gmx::VsitePbc >	vsitePbc = nullptr
	vsite PBC structure

int	numBondedInteractions = 0
	The number of bonded interactions observed.

gmx::ListOfLists< int >	excl
	List of exclusions.

Constructor & Destructor Documentation

thread_work_t::thread_work_t ( const gmx_ffparams_t & ffparams )

inline

Constructor.

Parameters

[in] ffparams The interaction parameters, the lifetime of the created object should not exceed the lifetime of the passed parameters

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