Gromacs  2022.2
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Attributes
gmx::Task Struct Reference


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
 Temporay 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.

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