Contents
ΒΆ
General Simulation Parameters
[Main]
section
[Structure Comparison]
section
[Paths]
section
[Paths]
section
Download
Installation
Dependencies
Server Installation
Client Installation
Documentation
Jobs
General Options
Adaptive kinetic Monte Carlo
[AKMC] Options
Parallel Replica
[Parallel Replica] Options
Basin Hopping
[Basin Hopping] Options
Prefactor
[Prefactor] Options
Process Search
[Process Search] Options
Saddle Search
[Saddle Search] Options
Options for Dynamics Method
Hessian
[Hessian] Options
Dynamics
[Dynamics] Options
Hyperdynamics
[Hyperdynamics] Options
Main
Parallelization
[Communicator] Options
Local
Cluster
MPI
Examples
Potential
MPI Potential
VASP
LAMMPS Potential
MEAM
OpenMP
Options
Notes for Intel Compilers
ASE Interface
CXXFLAGS
LDFLAGS
Compilation
Using the ASE interface
Python script contents
Optimizer
[Optimizer]
parameters
L-BFGS
Structure Comparison
Paths
Debug
[Debug] Options
Tutorials
AKMC Tutorial
Running a Parallel Replica Job
Parallel Replica with Hyperdynamics
Basin Hopping Tutorial
Minimization
Nudged Elastic Band
[Nudged Elastic Band] Options
Dimer
[Dimer] Options
Lanczos
[Lanczos] Options
Coarse Graining
Monte Carlo with Absorbing Markov Chains
Accelerated Superbasin Kinetic Monte Carlo
Kinetic Database
Dependencies
[KDB] Options
Recycling
[Recycling] Options
Server configuration
EON: Long timescale dynamics
Systems which can be modelled
Interatomic Interactions
Parallel Interfaces
The EON team
EON
Download
Installation
Tutorials
Documentation
Development
Source Code Browser
Bug Tracker
Page Source