LIGGGHTS
v4.X
1. Introduction
1.1. What is LIGGGHTS(R)-INL
1.2. LIGGGHTS-PUBLIC VS. LIGGGHTS-PREMIUM
1.3. History
1.4. LIGGGHTS(R)-INL features
1.5. LIGGGHTS(R)-INL General features
1.6. LIGGGHTS(R)-INL Model features: LIGGGHTS-PUBLIC features
1.7. LIGGGHTS(R)-INL Model features: Additional features for LIGGGHTS(R)-INL
1.8. Open source distribution
1.9. Acknowledgments and citations
2. Getting Started
2.1. How to obtain LIGGGHTS(R)-INL
2.2. Making LIGGGHTS(R)-INL
2.2.1.
Read this first:
2.2.2.
Steps to build a LIGGGHTS(R)-INL executable:
2.2.3.
Advanced building using custom makefiles
2.2.4.
Errors that can occur when making LIGGGHTS(R)-INL:
2.2.5.
Additional build tips:
2.2.6.
Building for a Mac:
2.2.7.
Building for Windows:
2.3. Making LIGGGHTS(R)-INL with optional packages
2.4. Building LIGGGHTS(R)-INL via the Make.py script
2.5. Building LIGGGHTS(R)-INL as a library
2.5.1.
Static library:
2.5.2.
Shared library:
2.5.3.
Additional requirement for using a shared library:
2.5.4.
Calling the LIGGGHTS(R)-INL library:
2.6. Running LIGGGHTS(R)-INL
2.7. Command-line options
2.8. LIGGGHTS(R)-INL screen output
3. Input Script
3.1. LIGGGHTS(R)-INL input script
3.2. Parsing rules
3.3. Input script structure
3.4. An example input script
4. Commands
4.1. List of all commands
4.2. bond_style potentials
4.3. compute styles
4.4. dump styles
4.5. fix styles
4.6. pair_style potentials
5. Contact models
5.1. cohesion commands
5.2. model commands
5.3. rolling_friction commands
5.4. surface commands
5.5. tangential commands
6. Mesh modules
6.1. module commands
7. Packages
8. How-to discussions
8.1. Restarting a simulation
8.2. 2d simulations
8.3. Running multiple simulations from one input script
8.4. Granular models
8.5. Coupling LIGGGHTS(R)-INL to other codes
8.6. Visualizing LIGGGHTS(R)-INL snapshots
8.7. Triclinic (non-orthogonal) simulation boxes
8.8. Output from LIGGGHTS(R)-INL (thermo, dumps, computes, fixes, variables)
8.8.1. Global/per-atom/local data
8.8.2. Scalar/vector/array data
8.8.3. Thermodynamic output
8.8.4. Dump file output
8.8.5. Fixes that write output files
8.8.6. Computes that process output quantities
8.8.7. Fixes that process output quantities
8.8.8. Computes that generate values to output
8.8.9. Fixes that generate values to output
8.8.10. Variables that generate values to output
8.8.11. Summary table of output options and data flow between commands
8.9. Walls
8.10. Library interface to LIGGGHTS(R)-INL
9. Modifying & extending LIGGGHTS(R)-INL
9.1. Atom styles
9.2. Compute styles
9.3. Dump styles
9.4. Dump custom output options
9.5. Fix styles
9.6. Input script commands
9.7. Pairwise potentials
9.8. Region styles
9.9. Thermodynamic output options
9.10. Variable options
9.11. Submitting new features for inclusion in LIGGGHTS(R)-INL
10. Python interface to LIGGGHTS(R)-INL
10.1. Building LIGGGHTS(R)-INL as a shared library
10.2. Installing the Python wrapper into Python
10.3. Extending Python with MPI to run in parallel
10.4. Testing the Python-LIGGGHTS(R)-INL interface
10.4.1.
Test LIGGGHTS(R)-INL and Python in serial:
10.4.2.
Test LIGGGHTS(R)-INL and Python in parallel:
10.4.3.
Running Python scripts:
10.5. Using LIGGGHTS(R)-INL from Python
10.6. Example Python scripts that use LIGGGHTS(R)-INL
11. Errors
11.1. Common problems
11.2. Reporting bugs
11.3. Error & warning messages
11.4. Errors:
11.5. Warnings:
LIGGGHTS
Docs
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Index
A
|
B
|
C
|
D
|
E
|
F
|
G
|
I
|
J
|
L
|
M
|
N
|
O
|
P
|
Q
|
R
|
S
|
T
|
U
|
V
|
W
A
atom_modify
atom_style
B
balance
bond_coeff
bond_style
bond_style harmonic
bond_style hybrid
bond_style none
boundary
box
C
change_box
clear
coarsegraining
communicate
compute
compute atom/molecule
compute bond/counter
compute bond/local
compute centro/atom
compute cluster/atom
compute cna/atom
compute com
compute com/molecule
compute contact/atom
compute contact/atom/gran
compute coord/atom
compute coord/gran
compute crosssection
compute displace/atom
compute erotate
compute erotate/asphere
compute erotate/multisphere
compute erotate/sphere
compute erotate/sphere/atom
compute erotate/superquadric
compute group/group
compute gyration
compute gyration/molecule
compute inertia/molecule
compute ke
compute ke/atom
compute ke/multisphere
compute msd
compute msd/molecule
compute msd/nongauss
compute multisphere
compute multisphere/single
compute nparticles/tracer/region
compute pair/gran/local
compute pe
compute pe/atom
compute pressure
compute property/atom
compute property/local
compute property/molecule
compute rdf
compute reduce
compute reduce/region
compute rigid
compute slice
compute stress/atom
compute surface
compute voronoi/atom
compute wall/gran/local
compute_modify
create_atoms
create_box
create_particles
D
Data_item_1 (built-in variable)
Data_item_2 (built-in variable)
Data_item_3 (built-in variable)
delete_atoms
delete_bonds
dielectric
dimension
displace_atoms
Documentation
dump
dump custom/vtk
dump image
,
[1]
dump local/gran/vtk
dump movie
,
[1]
dump_modify
,
[1]
E
echo
F
fix
fix adapt
fix addforce
fix ave/atom
fix ave/correlate
fix ave/euler
fix ave/histo
fix ave/spatial
fix ave/time
fix aveforce
fix balance
fix bond/break
fix bond/create
fix box/relax
fix buoyancy
fix check/timestep/gran
fix continuum/weighted
fix couple/cfd
fix deform
fix drag
fix dragforce
fix dt/reset
fix efield
fix enforce2d
fix external
fix freeze
fix gravity
fix heat/gran
fix heat/gran/conduction
fix insert/fragments
fix insert/pack
fix insert/rate/region
fix insert/stream
fix lineforce
fix massflow/mesh
fix massflow/mesh/sieve
fix mesh/surface
fix mesh/surface/planar
fix momentum
fix move
fix move/mesh
fix multicontact/halfspace
fix multisphere
fix multisphere/advanced
fix multisphere/break
fix nve
fix nve/asphere
fix nve/asphere/noforce
fix nve/cfd_cn
fix nve/limit
fix nve/line
fix nve/noforce
fix nve/nonspherical
fix nve/sphere
fix nve/sphere/limit
fix particledistribution/discrete
fix particledistribution/discrete/massbased
fix particledistribution/discrete/numberbased
fix particletemplate/multiplespheres
fix particletemplate/multisphere
fix particletemplate/sphere
fix particletemplate/superquadric
fix planeforce
fix poems
fix print
fix property/atom
fix property/atom/regiontracer/time
fix property/atom/tracer
fix property/atom/tracer/stream
fix property/global
fix rigid
fix rigid/nph
fix rigid/npt
fix rigid/nve
fix rigid/nvt
fix rigid/small
fix set/vel
fix setforce
fix sph/density/continuity
fix sph/density/corr
fix sph/density/summation
fix sph/pressure
fix spring
fix spring/rg
fix spring/self
fix store/force
fix store/state
fix viscous
fix wall/gran
fix wall/reflect
fix wall/region
fix wall/region/sph
fix_modify
G
gran cohesion bond
gran cohesion easo/capillary/viscous
gran cohesion sjkr
gran cohesion sjkr2
gran cohesion washino/capillary/viscous
gran model hertz
gran model hertz/stiffness
gran model hooke
gran model hooke/stiffness
gran rolling_friction cdt
gran rolling_friction epsd
gran rolling_friction epsd2
gran rolling_friction epsd3
gran surface sphere
gran surface superquadric
gran tangential history
gran tangential no_history
group
I
if
include
info
J
jump
L
label
lattice
log
M
mass
N
neigh_modify
neigh_settings
neighbor
neighbor_skin
newton
next
O
orient
origin
P
pair_coeff
pair_style
pair_style bubble
pair_style gran
pair_style gran_bubble bubble
pair_style hybrid
pair_style hybrid/overlay
pair_style none
pair_style soft
pair_style sph/artVisc/tensCorr
partition
payments.dotpay.DotpayProvider (built-in class)
print
processors
Python Enhancement Proposals
PEP 287
Q
quit
R
read_data
read_dump
read_restart
Reading
region
replicate
rerun
reset_timestep
restart
RFC
RFC 2822
run
run_style
S
set
shell
T
thermo
thermo_modify
thermo_style
timestep
U
uncompute
undump
unfix
units
V
variable
velocity
W
write_data
write_dump
write_restart
Writing