Uses of Class
edu.rit.pj.ParallelRegion
Packages that use ParallelRegion
Package
Description
The PJ package (Parallel Java) support shared memory, message passing and
hybrid shared memory/message passing parallelization in pure Java.
The Nonbonded package implements nonbonded molecular mechanics terms such as van der Waals and
Particle Mesh Ewald electrostastics.
The X-ray package implements support for X-ray and Neutron refinement.
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Uses of ParallelRegion in edu.rit.pj
Subclasses of ParallelRegion in edu.rit.pjModifier and TypeClassDescriptionclass
Provides a mechanism to shut down a ParallelTeam's threads, enabling garbage collection.Methods in edu.rit.pj that return ParallelRegionModifier and TypeMethodDescriptionfinal ParallelRegion
ParallelConstruct.region()
Returns the parallel region of code within which a parallel team is executing this parallel construct.final ParallelRegion
ParallelTeam.region()
Returns the parallel region of code that this parallel team is executing.Methods in edu.rit.pj with parameters of type ParallelRegionModifier and TypeMethodDescriptionfinal void
ParallelTeam.execute
(ParallelRegion theRegion) Execute the given parallel region. -
Uses of ParallelRegion in ffx.algorithms.optimize.manybody
Subclasses of ParallelRegion in ffx.algorithms.optimize.manybodyModifier and TypeClassDescriptionclass
Compute the minimum distance between each pair of residues for all rotamer permutations.class
class
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Uses of ParallelRegion in ffx.potential.nonbonded
Subclasses of ParallelRegion in ffx.potential.nonbondedModifier and TypeClassDescriptionclass
The NeighborList class builds Verlet lists in parallel via a spatial decomposition.class
The class computes b-Splines that are used to spline multipoles and induced dipoles onto the PME grid.class
The RowRegion class is used to parallelize placing onto a 3D gridclass
The SliceLoop class is used to parallelize placing onto a 3D gridclass
This class implements a spatial decomposition based on partitioning a grid into octants. -
Uses of ParallelRegion in ffx.potential.nonbonded.implicit
Subclasses of ParallelRegion in ffx.potential.nonbonded.implicitModifier and TypeClassDescriptionclass
Parallel computation of Born radii chain rule terms via the Grycuk method.class
Parallel computation of Born radii via the Grycuk method.class
ConnollyRegion uses the algorithms from the AMS/VAM programs of Michael Connolly to compute the analytical molecular surface area and volume of a collection of spherical atoms; thus it implements Fred Richards' molecular surface definition as a set of analytically defined spherical and toroidal polygons.class
Parallel calculation of continuum dispersion energy via pairwise descreening.class
Parallel calculation of the Generalized Kirkwood reaction field energy.class
Initial implementation of a Hydrophobic PMF.class
Parallel calculation of the Generalized Kirkwood induced reaction field.class
Parallel initialization of accumulation arrays for Generalized Kirkwood.class
Parallel computation of the Generalized Kirkwood permanent reaction field.class
SurfaceAreaRegion performs an analytical computation of the weighted solvent accessible surface area of each atom and the first derivatives of the area with respect to Cartesian coordinates -
Uses of ParallelRegion in ffx.potential.nonbonded.pme
Subclasses of ParallelRegion in ffx.potential.nonbonded.pmeModifier and TypeClassDescriptionclass
Parallel computation of induced dipoles due to the direct field.class
Parallel expansion of the asymmetric unit induced dipoles to symmetry mates by applying symmetry operator rotation matrices.class
Parallel summation and reduction of components of the induced dipole field at each atom.class
Parallel calculation of the induced dipole field.class
Parallel initialization of accumulation arrays, expand atomic coordinates and rotation of multipoles into the global frame.class
Parallel computation of the OPT induced dipoles.class
Parallel computation of the permanent field.class
Parallel computation of the polarization energy as sum over atomic contributions (-1/2 u.E).class
Parallel evaluation of the PME real space energy and gradient.class
Parallel evaluation of the PME reciprocal space energy and gradient.class
Parallel conversion of torques into forces, and then reduce them.class
Parallel successive over-relaxation (SOR) solver for the self-consistent field. -
Uses of ParallelRegion in ffx.xray
Subclasses of ParallelRegion in ffx.xrayModifier and TypeClassDescriptionclass
This class implements a spatial decomposition based on partitioning a grid into octants.class
The BulkSolventList class builds a list of atoms in symmetry mates that are within a cutoff distance of an atom in the asymmetric unit.class
BulkSolventRowRegion class.class
This class implements a spatial decomposition based on partitioning a grid into octants.