LAMMPS
1. Introduction
2. Getting Started
3. Commands
4. Packages
5. Accelerating LAMMPS performance
6. How-to discussions
7. Example problems
8. Performance & scalability
9. Additional tools
10. Modifying & extending LAMMPS
11. Python interface to LAMMPS
12. Errors
13. Future and history
LAMMPS
Docs
»
Website
Commands
Index
A
|
B
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C
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D
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E
|
F
|
G
|
I
|
J
|
K
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L
|
M
|
N
|
P
|
Q
|
R
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S
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T
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U
|
V
|
W
A
angle_coeff
angle_style
angle_style charmm
angle_style class2
angle_style cosine
angle_style cosine/delta
angle_style cosine/periodic
angle_style cosine/shift
angle_style cosine/shift/exp
angle_style cosine/squared
angle_style dipole
angle_style fourier
angle_style fourier/simple
angle_style harmonic
angle_style hybrid
angle_style none
angle_style quartic
angle_style sdk
angle_style table
atom_modify
atom_style
B
balance
bond_coeff
bond_style
bond_style class2
bond_style fene
bond_style fene/expand
bond_style harmonic
bond_style harmonic/shift
bond_style harmonic/shift/cut
bond_style hybrid
bond_style morse
bond_style none
bond_style nonlinear
bond_style quartic
bond_style table
boundary
box
C
change_box
clear
comm_modify
comm_style
compute
compute ackland/atom
compute angle/local
compute angmom/chunk
compute basal/atom
compute body/local
compute bond/local
compute centro/atom
compute chunk/atom
compute cluster/atom
compute cna/atom
compute com
compute com/chunk
compute contact/atom
compute coord/atom
compute damage/atom
compute dihedral/local
compute dilatation/atom
compute displace/atom
compute erotate/asphere
compute erotate/rigid
compute erotate/sphere
compute erotate/sphere/atom
compute event/displace
compute fep
compute force/tally
compute group/group
compute gyration
compute gyration/chunk
compute heat/flux
compute hexorder/atom
compute improper/local
compute inertia/chunk
compute ke
compute ke/atom
compute ke/atom/eff
compute ke/eff
compute ke/rigid
compute meso_e/atom
compute meso_rho/atom
compute meso_t/atom
compute msd
compute msd/chunk
compute msd/nongauss
compute omega/chunk
compute orientorder/atom
compute pair
compute pair/local
compute pe
compute pe/atom
compute plasticity/atom
compute pressure
compute property/atom
compute property/chunk
compute property/local
compute rdf
compute reduce
compute saed
compute slice
compute smd/contact_radius
compute smd/damage
compute smd/hourglass_error
compute smd/internal_energy
compute smd/plastic_strain
compute smd/plastic_strain_rate
compute smd/rho
compute smd/tlsph_defgrad
compute smd/tlsph_dt
compute smd/tlsph_num_neighs
compute smd/tlsph_shape
compute smd/tlsph_strain
compute smd/tlsph_strain_rate
compute smd/tlsph_stress
compute smd/ulsph_num_neighs
compute smd/ulsph_strain
compute smd/ulsph_strain_rate
compute smd/ulsph_stress
compute smd/vol
compute sna/atom
compute stress/atom
compute temp
compute temp/asphere
compute temp/body
compute temp/chunk
compute temp/com
compute temp/cs
compute temp/deform
compute temp/deform/eff
compute temp/drude
compute temp/eff
compute temp/partial
compute temp/profile
compute temp/ramp
compute temp/region
compute temp/region/eff
compute temp/rotate
compute temp/sphere
compute ti
compute torque/chunk
compute vacf
compute vcm/chunk
compute voronoi/atom
compute xrd
compute_modify
create_atoms
create_bonds
create_box
D
delete_atoms
delete_bonds
dielectric
dihedral_coeff
dihedral_style
dihedral_style charmm
dihedral_style class2
dihedral_style cosine/shift/exp
dihedral_style fourier
dihedral_style harmonic
dihedral_style helix
dihedral_style hybrid
dihedral_style multi/harmonic
dihedral_style nharmonic
dihedral_style none
dihedral_style opls
dihedral_style quadratic
dihedral_style table
dimension
displace_atoms
dump
dump h5md
dump image
dump molfile
dump_modify
E
echo
F
fix
fix adapt
fix adapt/fep
fix addforce
fix addtorque
fix append/atoms
fix atc
fix atom/swap
fix ave/atom
fix ave/chunk
fix ave/correlate
fix ave/correlate/long
fix ave/histo
fix ave/spatial
fix ave/spatial/sphere
fix ave/time
fix aveforce
fix balance
fix bond/break
fix bond/create
fix bond/swap
fix box/relax
fix colvars
fix deform
fix deposit
fix drag
fix drude
fix drude/transform/direct
fix dt/reset
fix efield
fix enforce2d
fix evaporate
fix external
fix freeze
fix gcmc
fix gld
fix gle
fix gravity
fix heat
fix imd
fix indent
fix ipi
fix langevin
fix langevin/drude
fix langevin/eff
fix lb/fluid
fix lb/momentum
fix lb/pc
fix lb/rigid/pc/sphere
fix lb/viscous
fix lineforce
fix meso
fix meso/stationary
fix momentum
fix move
fix msst
fix neb
fix nph/asphere
fix nph/body
fix nph/sphere
fix nphug
fix npt/asphere
fix npt/body
fix npt/sphere
fix nve
fix nve/asphere
fix nve/asphere/noforce
fix nve/body
fix nve/eff
fix nve/limit
fix nve/line
fix nve/noforce
fix nve/sphere
fix nve/tri
fix nvt
fix nvt/asphere
fix nvt/body
fix nvt/eff
fix nvt/sllod
fix nvt/sllod/eff
fix nvt/sphere
fix oneway
fix orient/fcc
fix phonon
fix pimd
fix planeforce
fix pour
fix press/berendsen
fix print
fix property/atom
fix qbmsst
fix qeq/comb
fix qeq/point
fix qeq/reax
fix qmmm
fix qtb
fix reax/bonds
fix reax/c/species
fix recenter
fix restrain
fix rigid
fix saed/vtk
fix setforce
fix shake
fix smd
fix smd/adjust_dt
fix smd/integrate_tlsph
fix smd/integrate_ulsph
fix smd/move_tri_surf
fix smd/setvel
fix smd/wall_surface
fix spring
fix spring/rg
fix spring/self
fix srd
fix store/force
fix store/state
fix temp/berendsen
fix temp/csvr
fix temp/rescale
fix temp/rescale/eff
fix tfmc
fix thermal/conductivity
fix ti/rs
fix ti/spring
fix tmd
fix ttm
fix tune/kspace
fix vector
fix viscosity
fix viscous
fix wall/gran
fix wall/lj93
fix wall/piston
fix wall/reflect
fix wall/region
fix wall/srd
fix_modify
G
group
group2ndx
I
if
improper_coeff
improper_style
improper_style class2
improper_style cossq
improper_style cvff
improper_style distance
improper_style fourier
improper_style harmonic
improper_style hybrid
improper_style none
improper_style ring
improper_style umbrella
include
info
J
jump
K
kspace_modify
kspace_style
L
label
lattice
log
M
mass
min_modify
min_style
minimize
molecule
N
neb
neigh_modify
neighbor
newton
next
P
package
pair_coeff
pair_modify
pair_style
pair_style adp
pair_style airebo
pair_style awpmd/cut
pair_style beck
pair_style body
pair_style body/rounded/polygon
pair_style bop
pair_style born
pair_style born/coul/long/cs
pair_style brownian
pair_style buck
pair_style buck/long/coul/long
pair_style colloid
pair_style comb
pair_style coul/cut
pair_style coul/diel
pair_style dpd
pair_style dsmc
pair_style eam
pair_style edip
pair_style eff/cut
pair_style eim
pair_style gauss
pair_style gayberne
pair_style gran/hooke
pair_style hbond/dreiding/lj
pair_style hybrid
pair_style kim
pair_style lcbop
pair_style line/lj
pair_style list
pair_style lj/charmm/coul/charmm
pair_style lj/class2
pair_style lj/cubic
pair_style lj/cut
pair_style lj/cut/dipole/cut
pair_style lj/cut/soft
pair_style lj/expand
pair_style lj/gromacs
pair_style lj/long/coul/long
pair_style lj/mdf
pair_style lj/sdk
pair_style lj/sf
pair_style lj/smooth
pair_style lj/smooth/linear
pair_style lj96/cut
pair_style lubricate
pair_style lubricateU
pair_style meam
pair_style mgpt
pair_style mie/cut
pair_style morse
pair_style nb3b/harmonic
pair_style nm/cut
pair_style none
pair_style peri/pmb
pair_style polymorphic
pair_style quip
pair_style reax
pair_style reax/c
pair_style resquared
pair_style smd/hertz
pair_style smd/tlsph
pair_style smd/tri_surface
pair_style smd/ulsph
pair_style smtbq
pair_style snap
pair_style soft
pair_style sph/heatconduction
pair_style sph/idealgas
pair_style sph/lj
pair_style sph/rhosum
pair_style sph/taitwater
pair_style sph/taitwater/morris
pair_style srp
pair_style sw
pair_style table
pair_style tersoff
pair_style tersoff/mod
pair_style tersoff/zbl
pair_style thole
pair_style tri/lj
pair_style vashishta
pair_style yukawa
pair_style yukawa/colloid
pair_style zbl
pair_write
partition
prd
print
processors
python
Q
quit
R
read_data
read_dump
read_restart
region
replicate
rerun
reset_timestep
restart
run
run_style
S
set
shell
special_bonds
suffix
T
tad
temper
thermo
thermo_modify
thermo_style
timer
timestep
U
uncompute
undump
unfix
units
V
variable
velocity
W
write_data
write_dump
write_restart