eOn eOn eOn
  • C++ API
    • rgpycrumbs Python helpers for eOn workflows
    • chemparseplot Parsing and plotting for computational chemistry
/

Contents

  • eOn team
  • Installation
    • Build develop on EESSI
    • LAMMPS
  • Obtaining sources
  • European environment for scientific software installations (EESSI)
  • Licenses
  • Tutorials
    • Real systems for documentation
      • Morse Pt NEB (built-in potential)
      • LJ cluster minimization (built-in potential)
      • Morse Pt saddle search (built-in potential)
    • AKMC Tutorial
    • Running a Parallel Replica Job
    • Targeted displacement for saddle searches
    • Dictionary-Style Configuration
    • Visualizing optimization trajectories
    • CECAM Workshop 2024
      • Virtualbox Troublshooting
  • User guide
    • pyeonclient
    • Neighbor lists (vesin)
    • AiiDA (aiida-eon)
    • External Potential
    • LAMMPS Potential
    • ASE interface
    • Metatomic interface
    • QUIP with LAMMPS
    • MPI potential
    • Choosing an algorithm
    • General simulation parameters
    • Potential
    • Structure comparison
    • Optimizer
    • Minimization
    • Nudged elastic band
    • Dimer method
    • Lanczos
    • ARTn (Activation-Relaxation Technique nouveau)
    • Hessian
    • Finite-difference curvature
    • Tunnelling splittings
    • Prefactor
    • Adaptive kinetic Monte Carlo
    • Saddle search
    • Basin hopping
    • Minima hopping
    • Monte Carlo
    • Replica exchange
    • Process search
    • Recycling
    • Coarse graining
    • Dynamics
    • Parallel replica
    • Hyperdynamics
    • Temperature accelerated dynamics
    • Optimal hyperplane transition state theory
    • Communicator
    • Debug
    • Paths
    • nvc++ stdpar (NEB image forces)
    • Kinetic database
    • rgpot integration (three roles)
    • RgpotPot (direct in-process rgpot)
    • Metatomic backends (fat, RGPOT, ASE)
    • Serve mode
  • Development documentation
    • Tests
    • Benchmarks
    • Parallel force evaluation
    • Library API
    • In-process jobs (no file IPC)
    • Public C++ surface
    • rgpot kernel inventory
    • Porting potentials
    • Working with the documentation
    • Subversion
    • Migrating from SVN
    • Tracking changes
    • Release workflow
    • Client design
      • Type system
      • SafeMath utilities
      • Parameters system
      • NEB modularization
      • CON file I/O via readcon-core
    • pyeonclient (nanobind client bindings)
    • eon-schema (shared parameter package)
    • pyeonclient on PyPI
  • API Reference
    • eon
      • eon.mcamc
        • eon.mcamc.mcamc
      • eon.geometry
        • eon.geometry.pbc
        • eon.geometry.wire
        • eon.geometry.cell
        • eon.geometry.process
        • eon.geometry.neighbors
      • eon.concorpus
      • eon.atoms
      • eon.params_ssot
      • eon.mpiwait
      • eon.askmc
      • eon.amsel_superbasin_gate
      • eon.parallelreplica
      • eon.server
      • eon.cancel
      • eon.recycling
      • eon.job_result
      • eon.statelist
      • eon.pyeonclient_bridge
      • eon.communicator_inprocess
      • eon.displace
      • eon.basinhopping
      • eon.akmcstatelist
      • eon.structure
      • eon.superbasin
      • eon.akmc
      • eon.config
      • eon.locking
      • eon.state
      • eon.prstate
      • eon.akmcstate
      • eon.superbasinscheme
      • eon.movie
      • eon.process_id
      • eon.escaperate
      • eon.fileio
      • eon.communicator
      • eon.process_catalog
      • eon.explorer
      • eon.prstatelist
  • Releases
    • Changelog
    • [v3.5.0] - 2026-10-01
      • eOn 3.5.0
    • [v3.4.0] - 2026-09-29
      • eOn 3.4.0
    • [v3.3.1] - 2026-09-27
      • eOn 3.3.1
    • [v3.3.0] - 2026-09-15
      • eOn 3.3.0
    • [v3.2.1] - 2026-09-13
      • eOn 3.2.1
    • [v3.2.0] - 2026-08-16
      • eOn 3.2.0
    • eOn 2.17.0
    • [v2.16.0] - 2026-07-03
      • Release notes
    • [v2.15.0] - 2026-06-24
      • Release notes
    • [v2.14.0] - 2026-04-24
      • Release notes
    • [v2.13.0] - 2026-04-18
      • Release notes
    • [v2.12.0] - 2026-03-08
      • Release notes
    • [v2.11.2] - 2026-03-02
      • Release notes
    • [v2.11.1] - 2026-03-01
      • Release notes
    • [v2.11.0] - 2026-02-24
      • Release notes
    • [v2.10.2] - 2026-02-22
      • Release notes
    • [v2.10.1] - 2026-02-18
      • Release notes
    • [v2.10.0] - 2026-02-15
      • Release notes
    • [v2.9.0] - 2026-01-27
      • Release notes
      • Related publications
    • [v2.8.2] - 2025-12-01
      • Release notes
    • [v2.8.1] - 2025-11-03
      • Release notes
      • Related Publications
    • [v2.8.0] - 2025-09-04
      • Release notes
      • Related publications
  • Glossary
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Client designΒΆ

Guidelines and rationale for the C++ core of eOn.

Components

  • Type system
  • SafeMath utilities
  • Parameters system
  • NEB modularization
  • CON file I/O via readcon-core
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Release workflow
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Type system
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