Uses of Class
edu.rit.pj.ParallelConstruct
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 ParallelConstruct in edu.rit.pj
Modifier and TypeClassDescriptionclass
Class BarrierAction is the abstract base class for an object containing code that is executed as part of a barrier wait.class
Class IntegerForLoop is the abstract base class for one variation of a parallel for loop that is executed inside a ParallelRegion.class
Class IntegerStrideForLoop is the abstract base class for one variation of a parallel for loop that is executed inside a ParallelRegion.class
Provides a mechanism to shut down a ParallelTeam's threads, enabling garbage collection.class
Class LongForLoop is the abstract base class for one variation of a parallel for loop that is executed inside a ParallelRegion.class
Class LongStrideForLoop is the abstract base class for one variation of a parallel for loop that is executed inside a ParallelRegion.class
Class ParallelForLoop is the abstract base class for a parallel for loop that is executed inside a ParallelRegion.class
Class ParallelIteration is the abstract base class for a parallel iteration that is executed inside a ParallelRegion.class
Class ParallelRegion is the abstract base class for a parallel region that is executed by a ParallelTeam of threads.class
Class ParallelSection is the abstract base class for a section of code to be executed in parallel. -
Uses of ParallelConstruct in ffx.algorithms.optimize.manybody
Modifier and TypeClassDescriptionclass
Compute the minimum distance between each pair of residues for all rotamer permutations.class
class
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Uses of ParallelConstruct in ffx.potential.nonbonded
Modifier 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
class
The RowLoop class is used to parallelize placing onto a 3D gridclass
The RowRegion class is used to parallelize placing onto a 3D gridclass
The SliceLoop class is used to parallelize placing onto a 3D gridclass
The SliceLoop class is used to parallelize placing onto a 3D gridclass
Loop over a list of atoms and assign their density to a grid.class
This class implements a spatial decomposition based on partitioning a grid into octants. -
Uses of ParallelConstruct in ffx.potential.nonbonded.implicit
Modifier 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 ParallelConstruct in ffx.potential.nonbonded.pme
Modifier 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 ParallelConstruct in ffx.xray
Modifier 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.