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Version: 2 Aug 2023
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User Guide

  • 1. Introduction
  • 2. Install LAMMPS
  • 3. Build LAMMPS
  • 4. Run LAMMPS
  • 5. Commands
    • 5.1. LAMMPS input scripts
    • 5.2. Parsing rules for input scripts
    • 5.3. Input script structure
    • 5.4. Commands by category
    • 5.5. General commands
    • 5.6. Fix commands
    • 5.7. Compute commands
    • 5.8. Pair_style potentials
    • 5.9. Bond_style potentials
    • 5.10. Angle_style potentials
    • 5.11. Dihedral_style potentials
    • 5.12. Improper_style potentials
    • 5.13. KSpace solvers
    • 5.14. Dump commands
    • 5.15. Removed commands and packages
  • 6. Optional packages
  • 7. Accelerate performance
  • 8. Howto discussions
  • 9. Example scripts
  • 10. Auxiliary tools
  • 11. Errors

Programmer Guide

  • 1. LAMMPS Library Interfaces
  • 2. Use Python with LAMMPS
  • 3. Modifying & extending LAMMPS
  • 4. Information for Developers

Command Reference

  • Commands
  • Fixes
  • Computes
  • Pair Styles
  • Bond Styles
  • Angle Styles
  • Dihedral Styles
  • Improper Styles
  • Dump Styles
  • fix_modify AtC commands
  • Bibliography
LAMMPS
  • 5. Commands
  • 5.13. KSpace solvers
  • LAMMPS Homepage | Commands
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\(\renewcommand{\AA}{\text{Å}}\)

General commands

Fix styles

Compute styles

Pair styles

Bond styles

Angle styles

Dihedral styles

Improper styles

KSpace styles

Dump styles

5.13. KSpace solvers

All LAMMPS kspace_style solvers. Some styles have accelerated versions. This is indicated by additional letters in parenthesis: g = GPU, i = INTEL, k = KOKKOS, o = OPENMP, t = OPT.

ewald (o)

ewald/disp

ewald/disp/dipole

ewald/dipole

ewald/dipole/spin

ewald/electrode

msm (o)

msm/cg (o)

msm/dielectric

pppm (giko)

pppm/cg (o)

pppm/dipole

pppm/dipole/spin

pppm/dielectric

pppm/disp (io)

pppm/disp/tip4p (o)

pppm/disp/dielectric

pppm/stagger

pppm/tip4p (o)

pppm/dielectric

pppm/electrode (i)

scafacos

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