Uses of Package
ffx.numerics.atomic
Packages that use ffx.numerics.atomic
Package
Description
The Atomic package has implementations of a double array that can be safely operated on by
multiple threads.
The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions,
etc.
The Nonbonded package implements nonbonded molecular mechanics terms such as van der Waals and
Particle Mesh Ewald electrostastics.
The implicit package implements implicit solvent models and related terms,
including Generalized Kirkwood (GK) electrostatics, surface area terms,
dispersion/cavitation contributions, and supporting parallel regions for
Born radii and field evaluation.
The pme package implements polarization and permanent electrostatics using
Particle Mesh Ewald (PME).
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Classes in ffx.numerics.atomic used by ffx.numerics.atomicClassDescriptionThis interface abstracts away the implementation of maintaining a 1D double array that is operated on by multiple threads.AtomicDoubleArray implementations (ADDER, MULTI, PJ).
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Classes in ffx.numerics.atomic used by ffx.potential.bondedClassDescriptionImplementation of maintaining a 3D double array that is operated on by multiple threads.
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Classes in ffx.numerics.atomic used by ffx.potential.nonbondedClassDescriptionThis interface abstracts away the implementation of maintaining a 1D double array that is operated on by multiple threads.Implementation of maintaining a 3D double array that is operated on by multiple threads.
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Classes in ffx.numerics.atomic used by ffx.potential.nonbonded.implicitClassDescriptionThis interface abstracts away the implementation of maintaining a 1D double array that is operated on by multiple threads.Implementation of maintaining a 3D double array that is operated on by multiple threads.
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Classes in ffx.numerics.atomic used by ffx.potential.nonbonded.pmeClassDescriptionImplementation of maintaining a 3D double array that is operated on by multiple threads.