anonymous_namespace{lincs.cpp}::Task Struct Reference

Description

Unit of work within LINCS.

Public Attributes
int	b0 = 0
	First constraint for this task.
int	b1 = 0
	b1-1 is the last constraint for this task.
int	ntriangle = 0
	The number of constraints in triangles.
std::vector< int >	triangle
	The list of triangle constraints.
std::vector< int >	tri_bits
	The bits tell if the matrix element should be used.
std::vector< int >	updateConstraintIndices1
	Constraint indices for updating atom data.
std::vector< int >	updateConstraintIndices2
	Constraint indices for updating atom data, second group.
std::vector< int >	updateConstraintIndicesRest
	Temporary constraint indices for setting up updating of atom data.
tensor	vir_r_m_dr = { { 0 } }
	Temporary variable for virial calculation.
real	dhdlambda
	Temporary variable for lambda derivative.

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

• src/gromacs/mdlib/lincs.cpp