DL_SDG Versions

Version 2.2, released September 2023

• DL_ANALYSER tutorial: illustration on cluster analysis and characterisation.
• DL_FIELD tutorial: guide to udff file, use of VDW_FIX, auto determine vdw parameters and atom equivalence.
• Simulations: Simulating a liquid using DPD (DL_MESO): improvement to include detailed descriptions of simulation visualisation and result analysis.
• Simulations: Simulating vapour-liquid coexistence using Lattice Boltzmann (DL_MESO): from input preparation, simulation to results analysis.
• Misc. editing, corrections.

Version 2.1, released December 2022

• Knowledge Center: Molecular Dynamics: bond constrains, MD integration.
• DL_ANALYSER tutorial: illustration on DANAI and results analysis.
• Created new section on Simulation: Example simulation models and procedures.
• Created new section on Simulation: Simulating a liquid using DPD for DL_MESO.
• Misc. editing, corrections, with clearer narratives.

Version 2.0, released July 2022

• DL_ANALYSER tutorial on Atomic Interaction Analysis.
• Update DL_MESO installation guide.
• Knowledge Center: Force Field: 1-4 scaling, atom typing, parameter fittings, improper.
• Knowledge Center: System regulators - Barostat, thermostat.
• Knowledge Center: Molecular Dynamics: enhancement and include boundary conditions.

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