LAMMPS Users Manual24 Jan 2013 version

http://lammps.sandia.gov - Sandia National LaboratoriesCopyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.

Table of ContentsLAMMPS Documentation.............................................................................................................................1

7 Jun 2013 version...................................................................................................................................1Version info:.....................................................................................................................................1

1. Introduction.........................................................................................................................................41.1 What is LAMMPS......................................................................................................................41.2 LAMMPS features......................................................................................................................5General features................................................................................................................................5Particle and model types...................................................................................................................5Force fields........................................................................................................................................5Atom creation....................................................................................................................................6Ensembles, constraints, and boundary conditions............................................................................6Integrators.........................................................................................................................................7Diagnostics........................................................................................................................................7Output...............................................................................................................................................7Multi-replica models.........................................................................................................................7Pre- and post-processing...................................................................................................................7Specialized features..........................................................................................................................71.3 LAMMPS non-features...............................................................................................................81.4 Open source distribution.............................................................................................................91.5 Acknowledgments and citations...............................................................................................10

2. Getting Started...................................................................................................................................122.1 What's in the LAMMPS distribution........................................................................................122.2 Making LAMMPS....................................................................................................................132.3 Making LAMMPS with optional packages..............................................................................192.4 Building LAMMPS via the Make.py script..............................................................................212.5 Building LAMMPS as a library................................................................................................222.6 Running LAMMPS...................................................................................................................242.7 Command-line options..............................................................................................................252.8 LAMMPS screen output...........................................................................................................292.9 Tips for users of previous LAMMPS versions.........................................................................30

3. Commands.........................................................................................................................................323.1 LAMMPS input script...............................................................................................................323.2 Parsing rules..............................................................................................................................333.3 Input script structure.................................................................................................................343.4 Commands listed by category...................................................................................................353.5 Individual commands................................................................................................................36Fix styles.........................................................................................................................................37Compute styles................................................................................................................................37Pair_style potentials........................................................................................................................38Bond_style potentials......................................................................................................................39Angle_style potentials.....................................................................................................................40Dihedral_style potentials................................................................................................................40Improper_style potentials................................................................................................................41Kspace solvers................................................................................................................................41

4. Packages............................................................................................................................................424.1 Standard packages.....................................................................................................................424.2 User packages...........................................................................................................................43USER-MISC package.....................................................................................................................44

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Table of ContentsUSER-ATC package.......................................................................................................................45USER-AWPMD package................................................................................................................45USER-COLVARS package............................................................................................................45USER-CG-CMM package..............................................................................................................46USER-CUDA package....................................................................................................................46USER-EFF package........................................................................................................................47USER-OMP package......................................................................................................................47USER-REAXC package.................................................................................................................47USER-SPH package........................................................................................................................48

5. Accelerating LAMMPS performance................................................................................................495.1 Measuring performance............................................................................................................495.2 General strategies......................................................................................................................505.3 Packages with optimized styles................................................................................................505.4 OPT package.............................................................................................................................515.5 USER-OMP package................................................................................................................515.6 GPU package............................................................................................................................535.7 USER-CUDA package..............................................................................................................555.8 Comparison of GPU and USER-CUDA packages...................................................................57

6. How-to discussions............................................................................................................................596.1 Restarting a simulation.............................................................................................................596.2 2d simulations...........................................................................................................................616.3 CHARMM, AMBER, and DREIDING force fields.................................................................616.4 Running multiple simulations from one input script................................................................626.5 Multi-replica simulations..........................................................................................................646.6 Granular models........................................................................................................................646.7 TIP3P water model...................................................................................................................656.8 TIP4P water model...................................................................................................................666.9 SPC water model.......................................................................................................................686.10 Coupling LAMMPS to other codes........................................................................................686.11 Visualizing LAMMPS snapshots............................................................................................696.12 Triclinic (non-orthogonal) simulation boxes..........................................................................706.13 NEMD simulations.................................................................................................................746.14 Finite-size spherical and aspherical particles..........................................................................746.15 Output from LAMMPS (thermo, dumps, computes, fixes, variables)....................................786.16 Thermostatting, barostatting, and computing temperature.....................................................826.17 Walls.......................................................................................................................................846.18 Elastic constants......................................................................................................................856.19 Library interface to LAMMPS................................................................................................856.20 Calculating thermal conductivity............................................................................................866.21 Calculating viscosity...............................................................................................................87

7. Example problems.............................................................................................................................908. Performance & scalability.................................................................................................................929. Additional tools.................................................................................................................................93

amber2lmp tool...............................................................................................................................94binary2txt tool.................................................................................................................................94ch2lmp tool.....................................................................................................................................94chain tool.........................................................................................................................................94createatoms tool..............................................................................................................................94

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Table of Contentsdata2xmovie tool.............................................................................................................................95eam database tool............................................................................................................................95eam generate tool............................................................................................................................95eff tool.............................................................................................................................................95emacs tool.......................................................................................................................................95ipp tool............................................................................................................................................95kate tool...........................................................................................................................................96lmp2arc tool....................................................................................................................................96lmp2cfg tool....................................................................................................................................96lmp2vmd tool..................................................................................................................................96matlab tool......................................................................................................................................96micelle2d tool..................................................................................................................................96moltemplate tool.............................................................................................................................97msi2lmp tool...................................................................................................................................97phonon tool.....................................................................................................................................97pymol_asphere tool.........................................................................................................................97python tool......................................................................................................................................97reax tool..........................................................................................................................................98restart2data tool...............................................................................................................................98thermo_extract tool.........................................................................................................................98vim tool...........................................................................................................................................98xmovie tool.....................................................................................................................................99

10. Modifying & extending LAMMPS...............................................................................................10010.1 Atom styles...........................................................................................................................10110.2 Bond, angle, dihedral, improper potentials...........................................................................10210.3 Compute styles......................................................................................................................10310.4 Dump styles..........................................................................................................................10410.5 Dump custom output options................................................................................................10410.6 Fix styles...............................................................................................................................10410.7 Input script commands..........................................................................................................10610.8 Kspace computations............................................................................................................10610.9 Minimization styles...............................................................................................................10710.10 Pairwise potentials..............................................................................................................10710.11 Region styles.......................................................................................................................10710.11 Body styles..........................................................................................................................10810.13 Thermodynamic output options..........................................................................................10810.14 Variable options..................................................................................................................10910.15 Submitting new features for inclusion in LAMMPS..........................................................109

11. Python interface to LAMMPS.......................................................................................................11111.1 Building LAMMPS as a shared library................................................................................11211.2 Installing the Python wrapper into Python............................................................................11211.3 Extending Python with MPI to run in parallel......................................................................11311.4 Testing the Python-LAMMPS interface...............................................................................11411.5 Using LAMMPS from Python..............................................................................................11611.6 Example Python scripts that use LAMMPS.........................................................................119

12. Errors.............................................................................................................................................12112.1 Common problems................................................................................................................12112.2 Reporting bugs......................................................................................................................122

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Table of Contents12.3 Error & warning messages....................................................................................................122Errors:...........................................................................................................................................123Warnings:......................................................................................................................................197

13. Future and history..........................................................................................................................20413.1 Coming attractions................................................................................................................20413.2 Past versions..........................................................................................................................204

angle_style charmm command............................................................................................................206angle_style charmm/omp command....................................................................................................206angle_style class2 command...............................................................................................................208angle_style class2/omp command.......................................................................................................208angle_coeff command.........................................................................................................................210angle_style cosine command...............................................................................................................212angle_style cosine/omp command.......................................................................................................212angle_style cosine/delta command......................................................................................................214angle_style cosine/delta/omp command..............................................................................................214angle_style cosine/periodic command.................................................................................................216angle_style cosine/periodic/omp command........................................................................................216angle_style cosine/shift command.......................................................................................................218angle_style cosine/shift/omp command..............................................................................................218angle_style cosine/shift/exp command................................................................................................220angle_style cosine/shift/exp/omp command........................................................................................220angle_style cosine/squared command.................................................................................................222angle_style cosine/squared/omp command.........................................................................................222angle_style dipole command...............................................................................................................224angle_style dipole/omp command.......................................................................................................224angle_style fourier command..............................................................................................................226angle_style fourier/omp command......................................................................................................226angle_style fourier/simple command..................................................................................................228angle_style fourier/simple/omp command..........................................................................................228angle_style harmonic command..........................................................................................................230angle_style harmonic/omp command..................................................................................................230angle_style hybrid command...............................................................................................................232angle_style none command.................................................................................................................234angle_style quartic command..............................................................................................................235angle_style quartic/omp command......................................................................................................235angle_style sdk command....................................................................................................................237angle_style command..........................................................................................................................238angle_style table command.................................................................................................................240angle_style table/omp command.........................................................................................................240atom_modify command.......................................................................................................................243atom_style command...........................................................................................................................245balance command................................................................................................................................248Body particles......................................................................................................................................252bond_style class2 command................................................................................................................255bond_style class2/omp command........................................................................................................255bond_coeff command..........................................................................................................................257bond_style fene command...................................................................................................................259bond_style fene/omp command...........................................................................................................259

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Table of Contentsbond_style fene/expand command......................................................................................................261bond_style fene/expand/omp command..............................................................................................261bond_style harmonic command...........................................................................................................263bond_style harmonic/omp command..................................................................................................263bond_style harmonic/shift command..................................................................................................265bond_style harmonic/shift/omp command..........................................................................................265bond_style harmonic/shift/cut command............................................................................................267bond_style harmonic/shift/cut/omp command....................................................................................267bond_style hybrid command...............................................................................................................269bond_style morse command................................................................................................................271bond_style morse/omp command........................................................................................................271bond_style none command..................................................................................................................273bond_style nonlinear command...........................................................................................................274bond_style nonlinear/omp command..................................................................................................274bond_style quartic command...............................................................................................................276bond_style quartic/omp command......................................................................................................276bond_style command...........................................................................................................................278bond_style table command..................................................................................................................280bond_style table/omp command..........................................................................................................280boundary command.............................................................................................................................283box command......................................................................................................................................285change_box command.........................................................................................................................286clear command.....................................................................................................................................291communicate command.......................................................................................................................292compute command...............................................................................................................................294compute ackland/atom command........................................................................................................298compute angle/local command............................................................................................................300compute atom/molecule command......................................................................................................302compute body/local command.............................................................................................................304compute bond/local command.............................................................................................................306compute centro/atom command..........................................................................................................308compute cluster/atom command..........................................................................................................310compute cna/atom command...............................................................................................................311compute com command.......................................................................................................................313compute com/molecule command.......................................................................................................314compute contact/atom command.........................................................................................................316compute coord/atom command...........................................................................................................317compute damage/atom command........................................................................................................319compute dihedral/local command........................................................................................................320compute displace/atom command.......................................................................................................321compute erotate/asphere command.....................................................................................................323compute erotate/sphere command.......................................................................................................324compute erotate/sphere/atom command..............................................................................................325compute event/displace command.......................................................................................................326compute group/group command..........................................................................................................327compute gyration command................................................................................................................329compute gyration/molecule command................................................................................................331compute heat/flux command...............................................................................................................333

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Table of Contentscompute improper/local command......................................................................................................337compute inertia/molecule command....................................................................................................338compute ke command..........................................................................................................................340compute ke/atom command.................................................................................................................341compute ke/atom/eff command...........................................................................................................342compute ke/eff command....................................................................................................................344compute meso_e/atom command........................................................................................................346compute meso_rho/atom command.....................................................................................................347compute meso_t/atom command.........................................................................................................348compute_modify command.................................................................................................................349compute msd command.......................................................................................................................350compute msd/molecule command.......................................................................................................352compute msd/nongauss command.......................................................................................................354compute pair command.......................................................................................................................356compute pair/local command..............................................................................................................358compute pe command..........................................................................................................................360compute pe/cuda command.................................................................................................................360compute pe/atom command.................................................................................................................362compute pressure command................................................................................................................364compute pressure/cuda command........................................................................................................364compute property/atom command.......................................................................................................366compute property/local command.......................................................................................................368compute property/molecule command................................................................................................370compute rdf command.........................................................................................................................371compute reduce command...................................................................................................................373compute reduce/region command........................................................................................................373compute slice command......................................................................................................................376compute stress/atom command............................................................................................................378compute temp command......................................................................................................................381compute temp/cuda command.............................................................................................................381compute temp/asphere command........................................................................................................383compute temp/com command..............................................................................................................386compute temp/deform command.........................................................................................................388compute temp/deform/eff command...................................................................................................390compute temp/eff command................................................................................................................391compute temp/partial command..........................................................................................................393compute temp/partial/cuda command..................................................................................................393compute temp/profile command..........................................................................................................395compute temp/ramp command............................................................................................................398compute temp/region command..........................................................................................................400compute temp/region/eff command.....................................................................................................402compute temp/rotate command...........................................................................................................403compute temp/sphere command..........................................................................................................405compute ti command...........................................................................................................................407compute voronoi/atom command........................................................................................................409create_atoms command.......................................................................................................................411create_box command...........................................................................................................................414delete_atoms command.......................................................................................................................416

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Table of Contentsdelete_bonds command.......................................................................................................................418dielectric command.............................................................................................................................420dihedral_style charmm command........................................................................................................421dihedral_style charmm/omp command...............................................................................................421dihedral_style class2 command...........................................................................................................423dihedral_style class2/omp command...................................................................................................423dihedral_coeff command.....................................................................................................................427dihedral_style cosine/shift/exp command...........................................................................................429dihedral_style cosine/shift/exp/omp command...................................................................................429dihedral_style fourier command..........................................................................................................431dihedral_style fourier/omp command..................................................................................................431dihedral_style harmonic command......................................................................................................433dihedral_style harmonic/omp command.............................................................................................433dihedral_style helix command.............................................................................................................435dihedral_style helix/omp command....................................................................................................435dihedral_style hybrid command..........................................................................................................437dihedral_style multi/harmonic command............................................................................................439dihedral_style multi/harmonic/omp command....................................................................................439dihedral_style nharmonic command....................................................................................................441dihedral_style nharmonic/omp command...........................................................................................441dihedral_style none command.............................................................................................................443dihedral_style opls command..............................................................................................................444dihedral_style opls/omp command......................................................................................................444dihedral_style quadratic command......................................................................................................446dihedral_style quadratic/omp command..............................................................................................446dihedral_style command......................................................................................................................448dihedral_style table command.............................................................................................................450dihedral_style table/omp command.....................................................................................................450dimension command............................................................................................................................453displace_atoms command....................................................................................................................454dump command...................................................................................................................................456dump image command........................................................................................................................456dump molfile command.......................................................................................................................456dump image command........................................................................................................................464dump_modify command......................................................................................................................471dump molfile command.......................................................................................................................481echo command.....................................................................................................................................483fix command........................................................................................................................................484fix adapt command..............................................................................................................................489fix addforce command.........................................................................................................................493fix addforce/cuda command................................................................................................................493fix addtorque command.......................................................................................................................496fix append/atoms command.................................................................................................................498fix atc command..................................................................................................................................500fix ave/atom command........................................................................................................................504fix ave/correlate command..................................................................................................................506fix ave/histo command........................................................................................................................511fix ave/spatial command......................................................................................................................516

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Table of Contentsfix ave/time command.........................................................................................................................521fix aveforce command.........................................................................................................................526fix aveforce/cuda command................................................................................................................526fix balance command...........................................................................................................................528fix bond/break command.....................................................................................................................532fix bond/create command....................................................................................................................535fix bond/swap command......................................................................................................................538fix box/relax command........................................................................................................................541fix colvars command...........................................................................................................................546fix deform command...........................................................................................................................548fix deposit command...........................................................................................................................556fix drag command................................................................................................................................559fix dt/reset command...........................................................................................................................560fix efield command..............................................................................................................................562fix enforce2d command.......................................................................................................................564fix enforce2d/cuda command..............................................................................................................564fix evaporate command.......................................................................................................................565fix external command..........................................................................................................................567fix freeze command.............................................................................................................................569fix freeze/cuda command....................................................................................................................569fix gcmc command..............................................................................................................................571fix gravity command............................................................................................................................575fix gravity/cuda command...................................................................................................................575fix gravity/omp command...................................................................................................................575fix heat command................................................................................................................................577fix imd command.................................................................................................................................579fix indent command.............................................................................................................................582fix langevin command.........................................................................................................................585fix langevin/eff command....................................................................................................................589fix lineforce command.........................................................................................................................591fix meso command..............................................................................................................................592fix meso/stationary command..............................................................................................................593fix_modify command..........................................................................................................................594fix momentum command.....................................................................................................................595fix move command..............................................................................................................................597 fix msst command...............................................................................................................................600fix neb command.................................................................................................................................603fix nvt command..................................................................................................................................605fix nvt/cuda command.........................................................................................................................605fix nvt/omp command..........................................................................................................................605fix npt command..................................................................................................................................605fix npt/cuda command.........................................................................................................................605fix npt/omp command..........................................................................................................................605fix nph command.................................................................................................................................605fix nph/omp command.........................................................................................................................605fix nvt/eff command............................................................................................................................614fix npt/eff command............................................................................................................................614fix nph/eff command...........................................................................................................................614

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Table of Contentsfix nph/asphere command....................................................................................................................617fix nph/asphere/omp command...........................................................................................................617fix nph/sphere command.....................................................................................................................620fix nph/sphere/omp command.............................................................................................................620fix nphug command.............................................................................................................................623fix nphug/omp command.....................................................................................................................623fix npt/asphere command....................................................................................................................627fix npt/asphere/omp command............................................................................................................627fix npt/sphere command......................................................................................................................630fix npt/sphere/omp command..............................................................................................................630fix nve command.................................................................................................................................633fix nve/cuda command........................................................................................................................633fix nve/omp command.........................................................................................................................633fix nve/asphere command....................................................................................................................635fix nve/asphere/noforce command......................................................................................................636fix nve/body command........................................................................................................................637fix nve/eff command............................................................................................................................638fix nve/limit command........................................................................................................................639fix nve/line command..........................................................................................................................641fix nve/noforce command....................................................................................................................642fix nve/sphere command......................................................................................................................643fix nve/sphere/omp command.............................................................................................................643fix nve/tri command............................................................................................................................645fix nvt/asphere command....................................................................................................................646fix nvt/asphere/omp command............................................................................................................646fix nvt/sllod command.........................................................................................................................649fix nvt/sllod/omp command.................................................................................................................649fix nvt/sllod/eff command...................................................................................................................652fix nvt/sphere command......................................................................................................................654fix nvt/sphere/omp command..............................................................................................................654fix orient/fcc command........................................................................................................................656fix phonon command...........................................................................................................................660fix planeforce command......................................................................................................................663fix poems.............................................................................................................................................664fix pour command................................................................................................................................666fix press/berendsen command.............................................................................................................669fix print command...............................................................................................................................672fix qeq/comb command.......................................................................................................................674fix qeq/comb/omp command...............................................................................................................674fix qeq/reax command.........................................................................................................................676fix reax/bonds command.....................................................................................................................678fix reax/c/bonds command..................................................................................................................678fix reax/c/species command................................................................................................................679fix recenter command..........................................................................................................................681fix restrain command...........................................................................................................................683fix rigid command...............................................................................................................................686fix rigid/nve command........................................................................................................................686fix rigid/nvt command.........................................................................................................................686

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Table of Contentsfix rigid/npt command.........................................................................................................................686fix rigid/nph command........................................................................................................................686fix rigid/small command......................................................................................................................686fix setforce command..........................................................................................................................696fix setforce/cuda command..................................................................................................................696fix shake command..............................................................................................................................698fix shake/cuda command.....................................................................................................................698fix smd command................................................................................................................................700fix spring command.............................................................................................................................703fix spring/rg command........................................................................................................................705fix spring/self command......................................................................................................................707fix srd command..................................................................................................................................709fix store/force command......................................................................................................................715fix store/state command.......................................................................................................................716fix temp/berendsen command..............................................................................................................718fix temp/berendsen/cuda command.....................................................................................................718fix temp/rescale command...................................................................................................................721fix temp/rescale/cuda command..........................................................................................................721fix temp/rescale/limit/cuda command.................................................................................................721fix temp/rescale/eff command.............................................................................................................724fix thermal/conductivity command......................................................................................................726fix tmd command.................................................................................................................................729fix ttm command..................................................................................................................................731fix viscosity command.........................................................................................................................734fix viscous command...........................................................................................................................737fix viscous/cuda command..................................................................................................................737fix wall/lj93 command.........................................................................................................................739fix wall/lj126 command.......................................................................................................................739fix wall/colloid command....................................................................................................................739fix wall/harmonic command................................................................................................................739fix wall/gran command........................................................................................................................744fix wall/piston command.....................................................................................................................747fix wall/reflect command.....................................................................................................................749fix wall/region command.....................................................................................................................752fix wall/srd command..........................................................................................................................755group command...................................................................................................................................758if command..........................................................................................................................................761improper_style class2 command.........................................................................................................764improper_style class2/omp command.................................................................................................764improper_coeff command...................................................................................................................767improper_style cossq command..........................................................................................................769improper_style cossq/omp command..................................................................................................769improper_style cvff command.............................................................................................................771improper_style cvff/omp command....................................................................................................771improper_style fourier command........................................................................................................773improper_style fourier/omp command................................................................................................773improper_style harmonic command....................................................................................................775improper_style harmonic/omp command............................................................................................775

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Table of Contentsimproper_style hybrid command.........................................................................................................777improper_style none command...........................................................................................................778improper_style ring command.............................................................................................................779improper_style ring/omp command....................................................................................................779improper_style command....................................................................................................................781improper_style umbrella command.....................................................................................................783improper_style umbrella/omp command.............................................................................................783include command.................................................................................................................................785jump command....................................................................................................................................786kspace_modify command....................................................................................................................788kspace_style command........................................................................................................................792label command.....................................................................................................................................797lattice command...................................................................................................................................798log command.......................................................................................................................................801mass command....................................................................................................................................802min_modify command.........................................................................................................................804min_style command.............................................................................................................................806minimize command.............................................................................................................................808neb command.......................................................................................................................................812neigh_modify command......................................................................................................................817neighbor command..............................................................................................................................820newton command.................................................................................................................................822next command.....................................................................................................................................823orient command...................................................................................................................................825origin command...................................................................................................................................826package command...............................................................................................................................827pair_style adp command......................................................................................................................831pair_style adp/omp command..............................................................................................................831pair_style airebo command..................................................................................................................834pair_style airebo/omp command.........................................................................................................834pair_style rebo command....................................................................................................................834pair_style rebo/omp command............................................................................................................834pair_style awpmd/cut command..........................................................................................................837pair_style beck command....................................................................................................................839pair_style beck/omp command............................................................................................................839pair_style body command....................................................................................................................841pair_style bop command......................................................................................................................843pair_style born command....................................................................................................................849pair_style born/omp command............................................................................................................849pair_style born/gpu command.............................................................................................................849pair_style born/coul/long command....................................................................................................849pair_style born/coul/long/cuda command...........................................................................................849pair_style born/coul/long/gpu command.............................................................................................849pair_style born/coul/long/omp command............................................................................................849pair_style born/coul/msm command...................................................................................................849pair_style born/coul/msm/omp command...........................................................................................849pair_style born/coul/wolf command....................................................................................................849pair_style born/coul/wolf/gpu command.............................................................................................849

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Table of Contentspair_style born/coul/wolf/omp command............................................................................................849pair_style brownian command............................................................................................................852pair_style brownian/omp command....................................................................................................852pair_style brownian/poly command....................................................................................................852pair_style brownian/poly/omp command............................................................................................852pair_style buck command....................................................................................................................854pair_style buck/cuda command...........................................................................................................854pair_style buck/gpu command.............................................................................................................854pair_style buck/omp command............................................................................................................854pair_style buck/coul/cut command......................................................................................................854pair_style buck/coul/cut/cuda command.............................................................................................854pair_style buck/coul/cut/gpu command...............................................................................................854pair_style buck/coul/cut/omp command..............................................................................................854pair_style buck/coul/long command....................................................................................................854pair_style buck/coul/long/cuda command...........................................................................................854pair_style buck/coul/long/gpu command............................................................................................854pair_style buck/coul/long/omp command...........................................................................................854pair_style buck/coul/msm command...................................................................................................854pair_style buck/coul/msm/omp command...........................................................................................854pair_style buck/long/coul/long command...........................................................................................857pair_style buck/long/coul/long/omp command...................................................................................857pair_style lj/charmm/coul/charmm command.....................................................................................860pair_style lj/charmm/coul/charmm/cuda command............................................................................860pair_style lj/charmm/coul/charmm/omp command.............................................................................860pair_style lj/charmm/coul/charmm/implicit command.......................................................................860pair_style lj/charmm/coul/charmm/implicit/cuda command...............................................................860pair_style lj/charmm/coul/charmm/implicit/omp command...............................................................860pair_style lj/charmm/coul/long command...........................................................................................860pair_style lj/charmm/coul/long/cuda command..................................................................................860pair_style lj/charmm/coul/long/gpu command....................................................................................860pair_style lj/charmm/coul/long/opt command.....................................................................................860pair_style lj/charmm/coul/long/omp command...................................................................................860pair_style lj/charmm/coul/msm command..........................................................................................860pair_style lj/charmm/coul/msm/omp command..................................................................................860pair_style lj/class2 command..............................................................................................................864pair_style lj/class2/cuda command......................................................................................................864pair_style lj/class2/gpu command.......................................................................................................864pair_style lj/class2/omp command......................................................................................................864pair_style lj/class2/coul/cut command................................................................................................864pair_style lj/class2/coul/cut/cuda command........................................................................................864pair_style lj/class2/coul/cut/omp command........................................................................................864pair_style lj/class2/coul/long command..............................................................................................864pair_style lj/class2/coul/long/cuda command......................................................................................864pair_style lj/class2/coul/long/gpu command.......................................................................................864pair_style lj/class2/coul/long/omp command......................................................................................864pair_coeff command............................................................................................................................867pair_style colloid command................................................................................................................871pair_style colloid/gpu command.........................................................................................................871

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Table of Contentspair_style colloid/omp command........................................................................................................871pair_style comb command...................................................................................................................876pair_style comb/omp command..........................................................................................................876pair_style coul/cut command...............................................................................................................880pair_style coul/cut/omp command......................................................................................................880pair_style coul/debye command..........................................................................................................880pair_style coul/debye/omp command..................................................................................................880pair_style coul/dsf command...............................................................................................................880pair_style coul/dsf/gpu command........................................................................................................880pair_style coul/long command............................................................................................................880pair_style coul/long/omp command....................................................................................................880pair_style coul/long/gpu command.....................................................................................................880pair_style coul/msm command............................................................................................................880pair_style coul/msm/omp command....................................................................................................880pair_style coul/wolf command............................................................................................................880pair_style coul/wolf/omp command....................................................................................................880pair_style coul/diel command..............................................................................................................884pair_style lj/cut/dipole/cut command..................................................................................................886pair_style lj/cut/dipole/cut/gpu command...........................................................................................886pair_style lj/cut/dipole/cut/omp command..........................................................................................886pair_style lj/sf/dipole/sf command......................................................................................................886pair_style lj/sf/dipole/sf/gpu command...............................................................................................886pair_style lj/sf/dipole/sf/omp command..............................................................................................886pair_style lj/cut/dipole/long command................................................................................................886pair_style lj/long/dipole/long command..............................................................................................886pair_style dpd command......................................................................................................................893pair_style dpd/omp command.............................................................................................................893pair_style dpd/tstat command..............................................................................................................893pair_style dpd/tstat/omp command......................................................................................................893pair_style dsmc command...................................................................................................................896pair_style eam command.....................................................................................................................898pair_style eam/cuda command............................................................................................................898pair_style eam/gpu command..............................................................................................................898pair_style eam/omp command.............................................................................................................898pair_style eam/opt command...............................................................................................................898pair_style eam/alloy command............................................................................................................898pair_style eam/alloy/cuda command...................................................................................................898pair_style eam/alloy/gpu command.....................................................................................................898pair_style eam/alloy/omp command....................................................................................................898pair_style eam/alloy/opt command......................................................................................................898pair_style eam/cd command................................................................................................................898pair_style eam/cd/omp command........................................................................................................898pair_style eam/fs command.................................................................................................................898pair_style eam/fs/cuda command........................................................................................................898pair_style eam/fs/gpu command..........................................................................................................898pair_style eam/fs/omp command.........................................................................................................898pair_style eam/fs/opt command...........................................................................................................898pair_style edip command.....................................................................................................................905

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Table of Contentspair_style eff/cut command.................................................................................................................908pair_style eim command......................................................................................................................913pair_style eim/omp command.............................................................................................................913pair_style gauss command...................................................................................................................917pair_style gauss/gpu command............................................................................................................917pair_style gauss/omp command..........................................................................................................917pair_style gauss/cut command.............................................................................................................917pair_style gauss/cut/omp command....................................................................................................917pair_style gayberne command.............................................................................................................920pair_style gayberne/gpu command......................................................................................................920pair_style gayberne/omp command.....................................................................................................920pair_style gran/hooke command..........................................................................................................924pair_style gran/cuda command............................................................................................................924pair_style gran/omp command............................................................................................................924pair_style gran/hooke/history command........................................................................