Uses of Package
ffx.potential.utils
Package
Description
The Algorithms package has support for local and global optimization, molecular dynamics
simulations, and calculation of free energy differences.
The Potential CLI package defines reusable options for PicoCLI command line scripts.
The Utils package implements core functionality needed for using the Potential package, such as
opening and closing structure files, basic force field energy evaluations, etc.
The UI package provides views and controllers for manipulating molecular systems.
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ClassDescriptionPotentialsFunctions describes core functionality for many Force Field X algorithms and scripts, such as opening and closing structure files, basic force field energy evaluations, etc.PotentialsUtils implements core functionality for many Force Field X algorithms and scripts, such as opening and closing structure files, basic force field evaluations, etc.
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ClassDescriptionPotentialsFunctions describes core functionality for many Force Field X algorithms and scripts, such as opening and closing structure files, basic force field energy evaluations, etc.
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ClassDescriptionClass for cluster objects.PotentialsFunctions describes core functionality for many Force Field X algorithms and scripts, such as opening and closing structure files, basic force field energy evaluations, etc.
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ClassDescriptionPotentialsFunctions describes core functionality for many Force Field X algorithms and scripts, such as opening and closing structure files, basic force field energy evaluations, etc.PotentialsUtils implements core functionality for many Force Field X algorithms and scripts, such as opening and closing structure files, basic force field evaluations, etc.