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
|
C
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D
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E
|
F
|
G
|
I
|
J
|
K
|
L
|
M
|
N
|
P
|
Q
|
R
|
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 dpd
compute dpd/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 eos/cv
fix eos/table
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 shardlow
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 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 dpd/conservative
pair_style dpd/fdt
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