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exaStamp

Output Data

Collab4exaNBody/exaStamp

exaStamp

Collab4exaNBody/exaStamp

Home
Overview
Overview
Build & Install
Build & Install
User Guide
User Guide
- User guide to exaStamp
- Getting Started
  Getting Started
- Simulation Starter Pack
  Simulation Starter Pack
  - Baseline Slots
  - Global Control
  - Particles Species
  - Simulation Domain
  - Input Data
  - Interatomic Potential
  - Output Data Output Data
    On this page
    
    Thermodynamic State (Screen & File)
    
    Simulation State
    
    Simulation Snapshots
  - Working Example
- Domain & Regions
  Domain & Regions
  - Simulation Domain
  - Spatial Regions
- Grids Features
  Grids Features
  - Grid Flavor
  - Input
  - Output
  - Analysis
- Particles Features
  Particles Features
  - Species
  - Input
  - Output
  - Analysis
- Interatomic Potentials
  Interatomic Potentials
  - Force Fields
  - Defining the interatomic potential
  - Pair Potentials
    Pair Potentials
    
    Pair Potentials
    
    Strategies
    
    Styles
    Styles
    
    Available Models
    
    Buckingham
    
    Coulomb (cutoff)
    
    Coulomb (Wolf)
    
    Exponential-6
    
    Exp6rf
    
    Lennard-Jones
    
    Ljexp6rf exp6
    
    Ljexp6rf lj
    
    Ljrf
    
    Ljwolf
    
    Reaction Field
    
    Relax
    
    Tabpair
    
    Ziegler–Biersack–Littmark (ZBL)
    
    Zero
  - EAM Potentials
    EAM Potentials
    
    Embedded-Atom-Model
    
    EAM alloy
    
    EAM Johnson
    
    EAM Ravelo
    
    EAM Sutton-Chen
    
    EAM vniitf
    
    EAM tabulated
  - MEAM Potentials
    MEAM Potentials
    
    MEAM
    
    MEAM + LJ
  - Reactive Potentials
    Reactive Potentials
    
    LCHBOP - Long-range Carbon-Hydrogen Bond Order Potential
    
    REBO - Reactive Empirical Bond Order Potential
  - Machine Learning Potentials
    Machine Learning Potentials
    
    SNAP - Spectral Neighbor Analysis Potential
    
    NNP - Neural Network Potential
    
    ACE - Atomic Cluster Expansion
  - Electrostatics Potentials
    Electrostatics Potentials
    
    Short range
    
    Long range
- Bonding Potentials
  Bonding Potentials
  - General bonding potential
  - Bond
    Bond
    
    Bond potentials
    
    Harmonic bond
    
    OPLS bond
    
    Quartic bond
    
    No potential
  - Bend
    Bend
    
    Bending potentials
    
    Harmonic bending
    
    OPLS bending
    
    Quartic bend
    
    No potential
  - Torsion
    Torsion
    
    Torsion potentials
    
    Harmonic torsion
    
    OPLS torsion
    
    COMPASS torsion
    
    0.5 COMPASS torsion
    
    Cos_two
    
    No potential
  - Improper
    Improper
    
    Improper potentials
    
    Harmonic improper
    
    OPLS improper
    
    No potential
Tutorials
Tutorials
microStamp MiniApp
microStamp MiniApp
- microStamp mini application
- microStamp Installation
  microStamp Installation
- microStamp Examples
  microStamp Examples
  - Benchmarking MD potentials
References
References
- Citing exaStamp
- Contribution papers
About

Output Data¶

Thermodynamic State (Screen & File)¶

Simulation State¶

Simulation Snapshots¶