VsiteThread Struct Reference

Collaboration diagram for VsiteThread:

Description

Vsite thread task data structure.

Public Attributes
int	rangeStart
	Start of atom range of this task.
int	rangeEnd
	End of atom range of this task.
t_ilist	ilist [F_NRE]
	The interaction lists, only vsite entries are used.
rvec	fshift [((2 *1+1)*(2 *1+1)*(2 *2+1))]
	Local fshift accumulation buffer.
matrix	dxdf
	Local virial dx*df accumulation buffer.
bool	useInterdependentTask
	Tells if interdependent task idTask should be used (in addition to the rest of this task), this bool has the same value on all threads.
InterdependentTask	idTask
	Data for vsites that involve constructing atoms in the atom range of other threads/tasks.

---

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

• src/gromacs/mdlib/vsite.cpp