Uses of Package
ffx.algorithms.dynamics.thermostats
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and
via OpenMM.
The Thermostats package implements thermostats for molecular dynamics simulations.
The MC package implements a variety of Monte Carlo moves for optimization and simulation
algorithms.
The X-ray package implements support for X-ray and Neutron refinement.
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ClassDescriptionThe abstract Thermostat class implements methods common to all thermostats for initializing velocities from a Maxwell-Boltzmann distribution and computing the instantaneous temperature.An enumeration of available Thermostats.
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ClassDescriptionThe abstract Thermostat class implements methods common to all thermostats for initializing velocities from a Maxwell-Boltzmann distribution and computing the instantaneous temperature.An enumeration of available Thermostats.
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ClassDescriptionThe abstract Thermostat class implements methods common to all thermostats for initializing velocities from a Maxwell-Boltzmann distribution and computing the instantaneous temperature.
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ClassDescriptionThe abstract Thermostat class implements methods common to all thermostats for initializing velocities from a Maxwell-Boltzmann distribution and computing the instantaneous temperature.