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DL_POLY 5.3.0 documentation
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User Manual:
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Introduction
Force Fields
Integration Algorithms
Equilibration
Coarse Graining
Two-Temperature Model
Currents
Heat Flux
Elastic Constants
Correlation Functions
Extending DL_POLY_5 to reactive systems: the Empirical Valence Bond method
Dissipative Particle Dynamics (DPD)
Introduction
DPD units
Thermostats
Barostats
Many-body Dissipative Particle Dynamics
Construction and Execution
Data Files
The DL_POLY_4 Parallelisation and Source Code
Examples
Appendices
Bibliography
Dissipative Particle Dynamics (DPD)
ΒΆ
Introduction
Outline of Method
Equation of State and Dynamic Properties
Derivation of Equilibrium
Summary
DPD units
Thermostats
Molecular Dynamics Velocity Verlet for DPD
Shardlow Splitting
Barostats
Langevin Barostat
Many-body Dissipative Particle Dynamics
Generalised many-body DPD
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Extending DL_POLY_5 to reactive systems: the Empirical Valence Bond method
Introduction
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