Version:
latest
git info: 29Aug2024-642-g59bbc5bcc1
User Guide
1. Introduction
2. Install LAMMPS
3. Build LAMMPS
4. Run LAMMPS
5. Commands
6. Optional packages
7. Accelerate performance
8. Howto discussions
9. Example scripts
10. Auxiliary tools
11. Errors
Programmer Guide
1. LAMMPS Library Interfaces
2. Use Python with LAMMPS
3. Modifying & extending LAMMPS
4. Information for Developers
Command Reference
Commands
Fix Styles
Compute Styles
Pair Styles
Bond Styles
Angle Styles
Dihedral Styles
Improper Styles
Dump Styles
fix_modify AtC commands
Bibliography
LAMMPS
Index
|
Commands
Index
_
|
A
|
B
|
C
|
D
|
E
|
F
|
G
|
H
|
I
|
J
|
K
|
L
|
M
|
N
|
O
|
P
|
Q
|
R
|
S
|
T
|
U
|
V
|
W
_
__version__ (in module lammps)
_LMP_STYLE_CONST (C++ enum)
_LMP_TYPE_CONST (C++ enum)
_LMP_VAR_CONST (C++ enum)
A
accelerator_config (lammps.lammps property)
angle_coeff
angle_style
angle_style amoeba
angle_style charmm
angle_style charmm/intel
angle_style charmm/kk
angle_style charmm/omp
angle_style class2
angle_style class2/kk
angle_style class2/omp
angle_style class2/p6
angle_style cosine
angle_style cosine/buck6d
angle_style cosine/delta
angle_style cosine/delta/omp
angle_style cosine/kk
angle_style cosine/omp
angle_style cosine/periodic
angle_style cosine/periodic/omp
angle_style cosine/shift
angle_style cosine/shift/exp
angle_style cosine/shift/exp/omp
angle_style cosine/shift/omp
angle_style cosine/squared
angle_style cosine/squared/omp
angle_style cosine/squared/restricted
angle_style cosine/squared/restricted/omp
angle_style cross
angle_style dipole
angle_style dipole/omp
angle_style fourier
angle_style fourier/omp
angle_style fourier/simple
angle_style fourier/simple/omp
angle_style gaussian
angle_style harmonic
angle_style harmonic/intel
angle_style harmonic/kk
angle_style harmonic/omp
angle_style hybrid
angle_style hybrid/kk
angle_style lepton
angle_style lepton/omp
angle_style mesocnt
angle_style mm3
angle_style none
angle_style quartic
angle_style quartic/omp
angle_style spica
angle_style spica/kk
angle_style spica/omp
angle_style table
angle_style table/omp
angle_style zero
angle_write
angular_momentum (lammps.Atom property)
append_cmd_history() (lammps.PyLammps method)
ArgInfo (C++ class)
ArgInfo::ArgInfo (C++ function)
ArgInfo::ArgTypes (C++ enum)
ArgInfo::ArgTypes::BIN1D (C++ enumerator)
ArgInfo::ArgTypes::BIN2D (C++ enumerator)
ArgInfo::ArgTypes::BIN3D (C++ enumerator)
ArgInfo::ArgTypes::BINCYLINDER (C++ enumerator)
ArgInfo::ArgTypes::BINSPHERE (C++ enumerator)
ArgInfo::ArgTypes::COMPUTE (C++ enumerator)
ArgInfo::ArgTypes::DENSITY_MASS (C++ enumerator)
ArgInfo::ArgTypes::DENSITY_NUMBER (C++ enumerator)
ArgInfo::ArgTypes::DNAME (C++ enumerator)
ArgInfo::ArgTypes::ERROR (C++ enumerator)
ArgInfo::ArgTypes::F (C++ enumerator)
ArgInfo::ArgTypes::FIX (C++ enumerator)
ArgInfo::ArgTypes::INAME (C++ enumerator)
ArgInfo::ArgTypes::KEYWORD (C++ enumerator)
ArgInfo::ArgTypes::MASS (C++ enumerator)
ArgInfo::ArgTypes::MOLECULE (C++ enumerator)
ArgInfo::ArgTypes::NONE (C++ enumerator)
ArgInfo::ArgTypes::TEMPERATURE (C++ enumerator)
ArgInfo::ArgTypes::TYPE (C++ enumerator)
ArgInfo::ArgTypes::UNKNOWN (C++ enumerator)
ArgInfo::ArgTypes::V (C++ enumerator)
ArgInfo::ArgTypes::VARIABLE (C++ enumerator)
ArgInfo::ArgTypes::X (C++ enumerator)
ArgInfo::copy_name (C++ function)
ArgInfo::get_dim (C++ function)
ArgInfo::get_index1 (C++ function)
ArgInfo::get_index2 (C++ function)
ArgInfo::get_name (C++ function)
ArgInfo::get_type (C++ function)
Atom (C++ class)
(class in lammps)
Atom2D (class in lammps)
Atom::add_custom (C++ function)
Atom::Atom (C++ function)
Atom::extract (C++ function)
Atom::extract_datatype (C++ function)
Atom::extract_size (C++ function)
Atom::find_custom (C++ function)
Atom::find_custom_ghost (C++ function)
Atom::PerAtom (C++ struct)
Atom::remove_custom (C++ function)
atom_modify
atom_style
AtomList (class in lammps)
atoms (lammps.PyLammps property)
available_ids() (lammps.lammps method)
available_plugins() (lammps.lammps method)
available_styles() (lammps.lammps method)
B
balance
bond_coeff
bond_style
bond_style bpm/rotational
bond_style bpm/spring
bond_style class2
bond_style class2/kk
bond_style class2/omp
bond_style fene
bond_style fene/expand
bond_style fene/expand/omp
bond_style fene/intel
bond_style fene/kk
bond_style fene/nm
bond_style fene/omp
bond_style gaussian
bond_style gromos
bond_style gromos/omp
bond_style harmonic
bond_style harmonic/intel
bond_style harmonic/kk
bond_style harmonic/omp
bond_style harmonic/restrain
bond_style harmonic/shift
bond_style harmonic/shift/cut
bond_style harmonic/shift/cut/omp
bond_style harmonic/shift/omp
bond_style hybrid
bond_style hybrid/kk
bond_style lepton
bond_style lepton/omp
bond_style mesocnt
bond_style mm3
bond_style morse
bond_style morse/omp
bond_style none
bond_style nonlinear
bond_style nonlinear/omp
bond_style oxdna/fene
bond_style oxdna2/fene
bond_style oxrna2/fene
bond_style quartic
bond_style quartic/omp
bond_style rheo/shell
bond_style special
bond_style table
bond_style table/omp
bond_style zero
bond_write
boundary
C
change_box
charge (lammps.Atom property)
clear
clear_cmd_history() (lammps.PyLammps method)
close() (fortran subroutine)
(lammps.lammps method)
(lammps.PyLammps method)
comm_modify
comm_style
command() (fortran subroutine)
(lammps.lammps method)
(lammps.PyLammps method)
commands_list() (fortran subroutine)
(lammps.lammps method)
commands_string() (fortran subroutine)
(lammps.lammps method)
communication (lammps.PyLammps property)
compute
compute ackland/atom
compute adf
compute aggregate/atom
compute angle
compute angle/local
compute angmom/chunk
compute ave/sphere/atom
compute ave/sphere/atom/kk
compute basal/atom
compute body/local
compute bond
compute bond/local
compute born/matrix
compute centro/atom
compute centroid/stress/atom
compute chunk/atom
compute chunk/spread/atom
compute cluster/atom
compute cna/atom
compute cnp/atom
compute com
compute com/chunk
compute composition/atom
compute composition/atom/kk
compute contact/atom
compute coord/atom
compute coord/atom/kk
compute count/type
compute damage/atom
compute dihedral
compute dihedral/local
compute dilatation/atom
compute dipole
compute dipole/chunk
compute dipole/tip4p
compute dipole/tip4p/chunk
compute displace/atom
compute dpd
compute dpd/atom
compute edpd/temp/atom
compute efield/atom
compute efield/wolf/atom
compute entropy/atom
compute erotate/asphere
compute erotate/rigid
compute erotate/sphere
compute erotate/sphere/atom
compute erotate/sphere/kk
compute event/displace
compute fabric
compute fep
compute fep/ta
compute force/tally
compute fragment/atom
compute global/atom
compute group/group
compute gyration
compute gyration/chunk
compute gyration/shape
compute gyration/shape/chunk
compute heat/flux
compute heat/flux/tally
compute heat/flux/virial/tally
compute hexorder/atom
compute hma
compute improper
compute improper/local
compute inertia/chunk
compute ke
compute ke/atom
compute ke/atom/eff
compute ke/eff
compute ke/rigid
compute mliap
compute momentum
compute msd
compute msd/chunk
compute msd/nongauss
compute nbond/atom
compute omega/chunk
compute orientorder/atom
compute orientorder/atom/kk
compute pace
compute pair
compute pair/local
compute pe
compute pe/atom
compute pe/mol/tally
compute pe/tally
compute plasticity/atom
compute pod/atom
compute pod/global
compute pod/local
compute podd/atom
compute pressure
compute pressure/alchemy
compute pressure/uef
compute property/atom
compute property/chunk
compute property/grid
compute property/local
compute ptm/atom
compute rattlers/atom
compute rdf
compute reaxff/atom
compute reaxff/atom/kk
compute reduce
compute reduce/chunk
compute reduce/region
compute rheo/property/atom
compute rigid/local
compute saed
compute slcsa/atom
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/triangle/vertices
compute smd/ulsph/effm
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 sna/grid
compute sna/grid/local
compute snad/atom
compute snap
compute snav/atom
compute sph/e/atom
compute sph/rho/atom
compute sph/t/atom
compute spin
compute stress/atom
compute stress/cartesian
compute stress/cylinder
compute stress/mop
compute stress/mop/profile
compute stress/spherical
compute stress/tally
compute tdpd/cc/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/deform/kk
compute temp/drude
compute temp/eff
compute temp/kk
compute temp/partial
compute temp/profile
compute temp/ramp
compute temp/region
compute temp/region/eff
compute temp/rotate
compute temp/sphere
compute temp/uef
compute ti
compute torque/chunk
compute vacf
compute vcm/chunk
compute viscosity/cos
compute voronoi/atom
compute xrd
compute_modify
computes (lammps.PyLammps property)
config_accelerator() (fortran function)
config_has_exceptions() (fortran function)
config_has_ffmpeg_support() (fortran function)
config_has_gzip_support() (fortran function)
config_has_jpeg_support() (fortran function)
config_has_mpi_support() (fortran function)
config_has_package() (fortran function)
config_has_png_support() (fortran function)
config_package_count() (fortran function)
config_package_name() (fortran subroutine)
create_atoms
create_atoms() (fortran subroutine)
(lammps.lammps method)
create_bonds
create_box
D
decode_image_flags() (fortran subroutine)
(lammps.lammps method)
delete_atoms
delete_bonds
dielectric
dihedral_coeff
dihedral_style
dihedral_style charmm
dihedral_style charmm/intel
dihedral_style charmm/kk
dihedral_style charmm/omp
dihedral_style charmmfsw
dihedral_style charmmfsw/kk
dihedral_style class2
dihedral_style class2/kk
dihedral_style class2/omp
dihedral_style cosine/shift/exp
dihedral_style cosine/shift/exp/omp
dihedral_style cosine/squared/restricted
dihedral_style fourier
dihedral_style fourier/intel
dihedral_style fourier/omp
dihedral_style harmonic
dihedral_style harmonic/intel
dihedral_style harmonic/kk
dihedral_style harmonic/omp
dihedral_style helix
dihedral_style helix/omp
dihedral_style hybrid
dihedral_style hybrid/kk
dihedral_style lepton
dihedral_style lepton/omp
dihedral_style multi/harmonic
dihedral_style multi/harmonic/omp
dihedral_style nharmonic
dihedral_style nharmonic/omp
dihedral_style none
dihedral_style opls
dihedral_style opls/intel
dihedral_style opls/kk
dihedral_style opls/omp
dihedral_style quadratic
dihedral_style quadratic/omp
dihedral_style spherical
dihedral_style table
dihedral_style table/cut
dihedral_style table/omp
dihedral_style zero
dihedral_write
dimension
displace_atoms
dump
dump atom
dump atom/adios
dump atom/gz
dump atom/zstd
dump cfg
dump cfg/gz
dump cfg/uef
dump cfg/zstd
dump custom
dump custom/adios
dump custom/gz
dump custom/zstd
dump dcd
dump grid
dump grid/vtk
dump h5md
dump image
dump local
dump local/gz
dump local/zstd
dump molfile
dump movie
dump netcdf
dump netcdf/mpiio
dump vtk
dump xtc
dump xyz
dump xyz/gz
dump xyz/zstd
dump yaml
dump_modify
dumps (lammps.PyLammps property)
dynamical_matrix
dynamical_matrix/kk
E
echo
enable_cmd_history (lammps.PyLammps property)
encode_image_flags() (fortran function)
(lammps.lammps method)
error() (fortran subroutine)
(lammps.lammps method)
eval() (lammps.PyLammps method)
expand() (lammps.lammps method)
extract_atom() (fortran function)
(lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
extract_atom_datatype() (lammps.lammps method)
extract_atom_size() (lammps.lammps method)
extract_box() (fortran subroutine)
(lammps.lammps method)
extract_compute() (fortran function)
(lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
extract_fix() (fortran function)
(lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
extract_global() (fortran function)
(lammps.lammps method)
extract_global_datatype() (lammps.lammps method)
extract_pair() (lammps.lammps method)
extract_pair_dimension() (lammps.lammps method)
extract_setting() (fortran function)
(lammps.lammps method)
extract_variable() (fortran function)
(lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
F
file() (fortran subroutine)
(lammps.lammps method)
(lammps.PyLammps method)
finalize() (lammps.lammps method)
find() (lammps.NeighList method)
(lammps.numpy_wrapper.NumPyNeighList method)
find_compute_neighlist() (fortran function)
(lammps.lammps method)
find_fix_neighlist() (fortran function)
(lammps.lammps method)
find_pair_neighlist() (fortran function)
(lammps.lammps method)
fitpod
fix
fix accelerate/cos
fix acks2/reaxff
fix acks2/reaxff/kk
fix adapt
fix adapt/fep
fix add/heat
fix addforce
fix addtorque
fix alchemy
fix amoeba/bitorsion
fix amoeba/pitorsion
fix append/atoms
fix atc
fix atom/swap
fix ave/atom
fix ave/chunk
fix ave/correlate
fix ave/correlate/long
fix ave/grid
fix ave/histo
fix ave/histo/weight
fix ave/time
fix aveforce
fix balance
fix bocs
fix bond/break
fix bond/create
fix bond/create/angle
fix bond/react
fix bond/swap
fix box/relax
fix brownian
fix brownian/asphere
fix brownian/sphere
fix charge/regulation
fix cmap
fix colvars
fix controller
fix damping/cundall
fix deform
fix deform/kk
fix deform/pressure
fix deposit
fix dpd/energy
fix dpd/energy/kk
fix drag
fix drude
fix drude/transform/direct
fix drude/transform/inverse
fix dt/reset
fix dt/reset/kk
fix edpd/source
fix efield
fix efield/kk
fix efield/tip4p
fix ehex
fix electrode/conp
fix electrode/conp/intel
fix electrode/conq
fix electrode/conq/intel
fix electrode/thermo
fix electrode/thermo/intel
fix electron/stopping
fix electron/stopping/fit
fix enforce2d
fix enforce2d/kk
fix eos/cv
fix eos/table
fix eos/table/rx
fix eos/table/rx/kk
fix evaporate
fix external
fix ffl
fix filter/corotate
fix flow/gauss
fix freeze
fix freeze/kk
fix gcmc
fix gld
fix gle
fix gravity
fix gravity/kk
fix gravity/omp
fix grem
fix halt
fix heat
fix heat/flow
fix hyper/global
fix hyper/local
fix imd
fix indent
fix ipi
fix langevin
fix langevin/drude
fix langevin/eff
fix langevin/kk
fix langevin/spin
fix lb/fluid
fix lb/momentum
fix lb/viscous
fix lineforce
fix manifoldforce
fix mdi/qm
fix mdi/qmmm
fix meso/move
fix mol/swap
fix momentum
fix momentum/chunk
fix momentum/kk
fix move
fix msst
fix mvv/dpd
fix mvv/edpd
fix mvv/tdpd
fix neb
fix neb/spin
fix nonaffine/displacement
fix nph
fix nph/asphere
fix nph/asphere/omp
fix nph/body
fix nph/eff
fix nph/kk
fix nph/omp
fix nph/sphere
fix nph/sphere/omp
fix nphug
fix nphug/omp
fix npt
fix npt/asphere
fix npt/asphere/omp
fix npt/body
fix npt/cauchy
fix npt/eff
fix npt/gpu
fix npt/intel
fix npt/kk
fix npt/omp
fix npt/sphere
fix npt/sphere/omp
fix npt/uef
fix numdiff
fix numdiff/virial
fix nve
fix nve/asphere
fix nve/asphere/gpu
fix nve/asphere/intel
fix nve/asphere/noforce
fix nve/awpmd
fix nve/body
fix nve/bpm/sphere
fix nve/dot
fix nve/dotc/langevin
fix nve/eff
fix nve/gpu
fix nve/intel
fix nve/kk
fix nve/limit
fix nve/line
fix nve/manifold/rattle
fix nve/noforce
fix nve/omp
fix nve/sphere
fix nve/sphere/kk
fix nve/sphere/omp
fix nve/spin
fix nve/tri
fix nvk
fix nvt
fix nvt/asphere
fix nvt/asphere/omp
fix nvt/body
fix nvt/eff
fix nvt/gpu
fix nvt/intel
fix nvt/kk
fix nvt/manifold/rattle
fix nvt/omp
fix nvt/sllod
fix nvt/sllod/eff
fix nvt/sllod/intel
fix nvt/sllod/kk
fix nvt/sllod/omp
fix nvt/sphere
fix nvt/sphere/omp
fix nvt/uef
fix oneway
fix orient/bcc
fix orient/eco
fix orient/fcc
fix pafi
fix pair
fix phonon
fix pimd/langevin
fix pimd/nvt
fix planeforce
fix plumed
fix poems
fix polarize/bem/gmres
fix polarize/bem/icc
fix polarize/functional
fix pour
fix precession/spin
fix press/berendsen
fix press/langevin
fix print
fix propel/self
fix property/atom
fix property/atom/kk
fix python/invoke
fix python/move
fix qbmsst
fix qeq/comb
fix qeq/comb/omp
fix qeq/ctip
fix qeq/dynamic
fix qeq/fire
fix qeq/point
fix qeq/reaxff
fix qeq/reaxff/kk
fix qeq/reaxff/omp
fix qeq/shielded
fix qeq/slater
fix qmmm
fix qtb
fix rattle
fix reaxff/bonds
fix reaxff/bonds/kk
fix reaxff/species
fix reaxff/species/kk
fix recenter
fix restrain
fix rheo
fix rheo/oxidation
fix rheo/pressure
fix rheo/thermal
fix rheo/viscosity
fix rhok
fix rigid
fix rigid/meso
fix rigid/nph
fix rigid/nph/omp
fix rigid/nph/small
fix rigid/npt
fix rigid/npt/omp
fix rigid/npt/small
fix rigid/nve
fix rigid/nve/omp
fix rigid/nve/small
fix rigid/nvt
fix rigid/nvt/omp
fix rigid/nvt/small
fix rigid/omp
fix rigid/small
fix rigid/small/omp
fix rx
fix rx/kk
fix saed/vtk
fix setforce
fix setforce/kk
fix setforce/spin
fix sgcmc
fix shake
fix shake/kk
fix shardlow
fix shardlow/kk
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 sph
fix sph/stationary
fix spring
fix spring/chunk
fix spring/rg
fix spring/self
fix spring/self/kk
fix srd
fix store/force
fix store/state
fix tdpd/source
fix temp/berendsen
fix temp/berendsen/kk
fix temp/csld
fix temp/csvr
fix temp/rescale
fix temp/rescale/eff
fix temp/rescale/kk
fix tfmc
fix tgnpt/drude
fix tgnvt/drude
fix thermal/conductivity
fix ti/spring
fix tmd
fix ttm
fix ttm/grid
fix ttm/mod
fix tune/kspace
fix vector
fix viscosity
fix viscous
fix viscous/kk
fix viscous/sphere
fix wall/body/polygon
fix wall/body/polyhedron
fix wall/colloid
fix wall/ees
fix wall/flow
fix wall/flow/kk
fix wall/gran
fix wall/gran/kk
fix wall/gran/region
fix wall/harmonic
fix wall/lepton
fix wall/lj1043
fix wall/lj126
fix wall/lj93
fix wall/lj93/kk
fix wall/morse
fix wall/piston
fix wall/reflect
fix wall/reflect/kk
fix wall/reflect/stochastic
fix wall/region
fix wall/region/ees
fix wall/srd
fix wall/table
fix widom
fix_external_get_force() (fortran function)
(lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
fix_external_set_energy_global() (fortran subroutine)
(lammps.lammps method)
fix_external_set_energy_peratom() (fortran subroutine)
(lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
fix_external_set_vector() (fortran subroutine)
(lammps.lammps method)
fix_external_set_vector_length() (fortran subroutine)
(lammps.lammps method)
fix_external_set_virial_global() (fortran subroutine)
(lammps.lammps method)
fix_external_set_virial_peratom() (lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
fix_modify
fix_modify AtC add_molecule
fix_modify AtC add_species
fix_modify AtC atom_element_map
fix_modify AtC atom_weight
fix_modify AtC atomic_charge
fix_modify AtC boundary type
fix_modify AtC boundary_dynamics
fix_modify AtC boundary_faceset
fix_modify AtC computes
fix_modify AtC consistent_fe_initialization
fix_modify AtC control localized_lambda
fix_modify AtC control lumped_lambda_solve
fix_modify AtC control mask_direction
fix_modify AtC control momentum
fix_modify AtC control thermal
fix_modify AtC decomposition
fix_modify AtC equilibrium_start
fix_modify AtC extrinsic electron_integration
fix_modify AtC extrinsic exchange
fix_modify AtC fe_md_boundary
fix_modify AtC fields
fix_modify AtC filter
fix_modify AtC filter scale
fix_modify AtC filter type
fix_modify AtC fix
fix_modify AtC fix_flux
fix_modify AtC gradients
fix_modify AtC initial
fix_modify AtC internal_element_set
fix_modify AtC internal_quadrature
fix_modify AtC kernel
fix_modify AtC kernel_bandwidth
fix_modify AtC mass_matrix
fix_modify AtC material
fix_modify AtC mesh add_to_nodeset
fix_modify AtC mesh create
fix_modify AtC mesh create_elementset
fix_modify AtC mesh create_faceset box
fix_modify AtC mesh create_faceset plane
fix_modify AtC mesh create_nodeset
fix_modify AtC mesh delete_elements
fix_modify AtC mesh nodeset_to_elementset
fix_modify AtC mesh output
fix_modify AtC mesh quadrature
fix_modify AtC mesh read
fix_modify AtC mesh write
fix_modify AtC on_the_fly
fix_modify AtC output
fix_modify AtC output boundary_integral
fix_modify AtC output contour_integral
fix_modify AtC output nodeset
fix_modify AtC output volume_integral
fix_modify AtC pair_interactions
fix_modify AtC poisson_solver
fix_modify AtC rates
fix_modify AtC read_restart
fix_modify AtC remove_molecule
fix_modify AtC remove_source
fix_modify AtC remove_species
fix_modify AtC reset_atomic_reference_positions
fix_modify AtC reset_time
fix_modify AtC sample_frequency
fix_modify AtC set reference_potential_energy
fix_modify AtC source
fix_modify AtC source_integration
fix_modify AtC temperature_definition
fix_modify AtC time_integration
fix_modify AtC track_displacement
fix_modify AtC unfix
fix_modify AtC unfix_flux
fix_modify AtC write_atom_weights
fix_modify AtC write_restart
fixes (lammps.PyLammps property)
flush_buffers() (fortran subroutine)
(lammps.lammps method)
force (lammps.Atom property)
(lammps.Atom2D property)
force_timeout() (fortran subroutine)
(lammps.lammps method)
G
gather() (fortran subroutine)
gather_angles() (fortran subroutine)
(lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
gather_atoms() (fortran subroutine)
gather_atoms_concat() (fortran subroutine)
gather_atoms_subset() (fortran subroutine)
gather_bonds() (fortran subroutine)
(lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
gather_concat() (fortran subroutine)
gather_dihedrals() (fortran subroutine)
(lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
gather_impropers() (fortran subroutine)
(lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
gather_subset() (fortran subroutine)
get() (lammps.NeighList method)
(lammps.numpy_wrapper.NumPyNeighList method)
get_gpu_device_info() (fortran subroutine)
(lammps.lammps method)
get_last_error_message() (fortran subroutine)
get_mpi_comm() (fortran function)
(lammps.lammps method)
get_natoms() (fortran function)
(lammps.lammps method)
get_neighlist() (lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
get_neighlist_element_neighbors() (lammps.lammps method)
(lammps.numpy_wrapper.numpy_wrapper method)
get_neighlist_size() (lammps.lammps method)
get_os_info() (fortran subroutine)
(lammps.lammps method)
get_thermo() (fortran function)
(lammps.lammps method)
geturl
group
group2ndx
groups (lammps.PyLammps property)
H
has_curl_support (lammps.lammps property)
has_error() (fortran function)
has_exceptions (lammps.lammps property)
has_ffmpeg_support (lammps.lammps property)
has_gpu_device (lammps.lammps property)
has_gpu_device() (fortran function)
has_gzip_support (lammps.lammps property)
has_id() (fortran function)
(lammps.lammps method)
has_jpeg_support (lammps.lammps property)
has_mpi_support (lammps.lammps property)
has_package() (lammps.lammps method)
has_png_support (lammps.lammps property)
has_style() (fortran function)
(lammps.lammps method)
hyper
I
id (lammps.Atom property)
id_count() (fortran function)
id_name() (fortran subroutine)
if
image() (lammps.IPyLammps method)
improper_coeff
improper_style
improper_style amoeba
improper_style class2
improper_style class2/kk
improper_style class2/omp
improper_style cossq
improper_style cossq/omp
improper_style cvff
improper_style cvff/intel
improper_style cvff/omp
improper_style distance
improper_style distharm
improper_style fourier
improper_style fourier/omp
improper_style harmonic
improper_style harmonic/intel
improper_style harmonic/kk
improper_style harmonic/omp
improper_style hybrid
improper_style hybrid/kk
improper_style inversion/harmonic
improper_style none
improper_style ring
improper_style ring/omp
improper_style sqdistharm
improper_style umbrella
improper_style umbrella/omp
improper_style zero
include
info
Input (C++ class)
Input::file (C++ function)
,
[1]
Input::Input (C++ function)
Input::one (C++ function)
installed_packages (lammps.lammps property)
installed_packages() (fortran subroutine)
InvalidFloatException (C++ class)
InvalidFloatException::InvalidFloatException (C++ function)
InvalidIntegerException (C++ class)
InvalidIntegerException::InvalidIntegerException (C++ function)
IPyLammps (class in lammps)
is_running (lammps.lammps property)
is_running() (fortran function)
J
jump
K
kim_commands
kspace_modify
kspace_style ewald
kspace_style ewald/dipole
kspace_style ewald/dipole/spin
kspace_style ewald/disp
kspace_style ewald/disp/dipole
kspace_style ewald/electrode
kspace_style ewald/omp
kspace_style msm
kspace_style msm/cg
kspace_style msm/cg/omp
kspace_style msm/dielectric
kspace_style msm/omp
kspace_style pppm
kspace_style pppm/cg
kspace_style pppm/cg/omp
kspace_style pppm/dielectric
kspace_style pppm/dipole
kspace_style pppm/dipole/spin
kspace_style pppm/disp
kspace_style pppm/disp/dielectric
kspace_style pppm/disp/intel
kspace_style pppm/disp/omp
kspace_style pppm/disp/tip4p
kspace_style pppm/disp/tip4p/omp
kspace_style pppm/electrode
kspace_style pppm/electrode/intel
kspace_style pppm/gpu
kspace_style pppm/intel
kspace_style pppm/kk
kspace_style pppm/omp
kspace_style pppm/stagger
kspace_style pppm/tip4p
kspace_style pppm/tip4p/omp
kspace_style scafacos
L
label
labelmap
lammps
module
LAMMPS (C++ class)
lammps (class in lammps)
(fortran type)
lammps() (fortran function)
lammps.formats
module
LAMMPS::argv_pointers (C++ function)
LAMMPS::is_installed_pkg (C++ function)
LAMMPS::LAMMPS (C++ function)
,
[1]
LAMMPS::match_style (C++ function)
LAMMPS::non_pair_suffix (C++ function)
LAMMPS::~LAMMPS (C++ function)
lammps_close (C++ function)
lammps_command (C++ function)
lammps_commands_list (C++ function)
lammps_commands_string (C++ function)
lammps_config_accelerator (C++ function)
lammps_config_has_exceptions (C++ function)
lammps_config_has_ffmpeg_support (C++ function)
lammps_config_has_gzip_support (C++ function)
lammps_config_has_jpeg_support (C++ function)
lammps_config_has_mpi_support (C++ function)
lammps_config_has_package (C++ function)
lammps_config_has_png_support (C++ function)
lammps_config_package_count (C++ function)
lammps_config_package_name (C++ function)
lammps_create_atoms (C++ function)
lammps_decode_image_flags (C++ function)
lammps_encode_image_flags (C++ function)
lammps_error (C++ function)
lammps_extract_atom (C++ function)
lammps_extract_atom_datatype (C++ function)
lammps_extract_atom_size (C++ function)
lammps_extract_box (C++ function)
lammps_extract_compute (C++ function)
lammps_extract_fix (C++ function)
lammps_extract_global (C++ function)
lammps_extract_global_datatype (C++ function)
lammps_extract_pair (C++ function)
lammps_extract_pair_dimension (C++ function)
lammps_extract_setting (C++ function)
lammps_extract_variable (C++ function)
lammps_extract_variable_datatype (C++ function)
lammps_file (C++ function)
lammps_find_compute_neighlist (C++ function)
lammps_find_fix_neighlist (C++ function)
lammps_find_pair_neighlist (C++ function)
lammps_fix_external_get_force (C++ function)
lammps_fix_external_set_energy_global (C++ function)
lammps_fix_external_set_energy_peratom (C++ function)
lammps_fix_external_set_vector (C++ function)
lammps_fix_external_set_vector_length (C++ function)
lammps_fix_external_set_virial_global (C++ function)
lammps_fix_external_set_virial_peratom (C++ function)
lammps_flush_buffers (C++ function)
lammps_force_timeout (C++ function)
lammps_free (C++ function)
lammps_gather (C++ function)
lammps_gather_angles (C++ function)
lammps_gather_atoms (C++ function)
lammps_gather_atoms_concat (C++ function)
lammps_gather_atoms_subset (C++ function)
lammps_gather_bonds (C++ function)
lammps_gather_concat (C++ function)
lammps_gather_dihedrals (C++ function)
lammps_gather_impropers (C++ function)
lammps_gather_subset (C++ function)
lammps_get_gpu_device_info (C++ function)
lammps_get_last_error_message (C++ function)
lammps_get_mpi_comm (C++ function)
lammps_get_natoms (C++ function)
lammps_get_os_info (C++ function)
lammps_get_thermo (C++ function)
lammps_has_error (C++ function)
lammps_has_gpu_device (C++ function)
lammps_has_id (C++ function)
lammps_has_style (C++ function)
lammps_id_count (C++ function)
lammps_id_name (C++ function)
lammps_is_running (C++ function)
lammps_kokkos_finalize (C++ function)
lammps_last_thermo (C++ function)
lammps_map_atom (C++ function)
lammps_memory_usage (C++ function)
lammps_mpi_finalize (C++ function)
lammps_mpi_init (C++ function)
lammps_neighlist_element_neighbors (C++ function)
lammps_neighlist_num_elements (C++ function)
lammps_open (C++ function)
lammps_open_fortran (C++ function)
lammps_open_no_mpi (C++ function)
lammps_python_api_version (C++ function)
lammps_python_finalize (C++ function)
lammps_reset_box (C++ function)
lammps_scatter (C++ function)
lammps_scatter_atoms (C++ function)
lammps_scatter_atoms_subset (C++ function)
lammps_scatter_subset (C++ function)
lammps_set_fix_external_callback (C++ function)
lammps_set_internal_variable (C++ function)
lammps_set_string_variable (C++ function)
lammps_set_variable (C++ function)
lammps_style (fortran type)
lammps_style_count (C++ function)
lammps_style_name (C++ function)
lammps_type (fortran type)
lammps_variable_info (C++ function)
lammps_version (C++ function)
last_run (lammps.PyLammps property)
last_thermo() (fortran function)
(lammps.lammps method)
last_thermo_step (lammps.lammps property)
lattice
LIBLAMMPS (module)
lmp_print() (lammps.PyLammps method)
LMP_SIZE_COLS (C++ enumerator)
LMP_SIZE_ROWS (C++ enumerator)
LMP_SIZE_VECTOR (C++ enumerator)
LMP_STYLE_ATOM (C++ enumerator)
LMP_STYLE_GLOBAL (C++ enumerator)
LMP_STYLE_LOCAL (C++ enumerator)
LMP_TYPE_ARRAY (C++ enumerator)
LMP_TYPE_SCALAR (C++ enumerator)
LMP_TYPE_VECTOR (C++ enumerator)
LMP_VAR_ATOM (C++ enumerator)
LMP_VAR_EQUAL (C++ enumerator)
LMP_VAR_STRING (C++ enumerator)
LMP_VAR_VECTOR (C++ enumerator)
log
M
map_atom() (lammps.lammps method)
mass
(lammps.Atom property)
MathEigen::jacobi3 (C++ function)
,
[1]
MathSpecial::cube (C++ function)
MathSpecial::exp2_x86 (C++ function)
MathSpecial::expmsq (C++ function)
MathSpecial::factorial (C++ function)
MathSpecial::fm_exp (C++ function)
MathSpecial::my_erfcx (C++ function)
MathSpecial::powint (C++ function)
MathSpecial::powsign (C++ function)
MathSpecial::powsinxx (C++ function)
MathSpecial::square (C++ function)
mdi
memory_usage() (fortran subroutine)
min_modify
min_style
min_style spin
minimize
minimize/kk
module
lammps
lammps.formats
mol (lammps.Atom property)
molecule
multitype::_LMP_DATATYPE_CONST (C++ enum)
multitype::_LMP_DATATYPE_CONST::LAMMPS_DOUBLE (C++ enumerator)
multitype::_LMP_DATATYPE_CONST::LAMMPS_DOUBLE_2D (C++ enumerator)
multitype::_LMP_DATATYPE_CONST::LAMMPS_INT (C++ enumerator)
multitype::_LMP_DATATYPE_CONST::LAMMPS_INT64 (C++ enumerator)
multitype::_LMP_DATATYPE_CONST::LAMMPS_INT64_2D (C++ enumerator)
multitype::_LMP_DATATYPE_CONST::LAMMPS_INT_2D (C++ enumerator)
multitype::_LMP_DATATYPE_CONST::LAMMPS_NONE (C++ enumerator)
multitype::_LMP_DATATYPE_CONST::LAMMPS_STRING (C++ enumerator)
MyPage (C++ class)
MyPage::get (C++ function)
MyPage::init (C++ function)
MyPage::MyPage (C++ function)
MyPage::reset (C++ function)
MyPage::size (C++ function)
MyPage::status (C++ function)
MyPage::vget (C++ function)
MyPage::vgot (C++ function)
MyPoolChunk (C++ class)
MyPoolChunk::get (C++ function)
,
[1]
MyPoolChunk::MyPoolChunk (C++ function)
MyPoolChunk::put (C++ function)
MyPoolChunk::size (C++ function)
MyPoolChunk::status (C++ function)
MyPoolChunk::~MyPoolChunk (C++ function)
N
ndx2group
neb
neb/spin
neigh_modify
neighbor
NeighList (class in lammps)
neighlist_element_neighbors() (fortran subroutine)
neighlist_num_elements() (fortran function)
newton
next
numpy (lammps.lammps property)
numpy_wrapper (class in lammps.numpy_wrapper)
NumPyNeighList (class in lammps.numpy_wrapper)
O
omega (lammps.Atom property)
P
package
pair_coeff
pair_modify
pair_style
pair_style adp
pair_style adp/kk
pair_style adp/omp
pair_style agni
pair_style agni/omp
pair_style aip/water/2dm
pair_style aip/water/2dm/opt
pair_style airebo
pair_style airebo/intel
pair_style airebo/morse
pair_style airebo/morse/intel
pair_style airebo/morse/omp
pair_style airebo/omp
pair_style amoeba
pair_style amoeba/gpu
pair_style atm
pair_style awpmd/cut
pair_style beck
pair_style beck/gpu
pair_style beck/omp
pair_style body/nparticle
pair_style body/rounded/polygon
pair_style body/rounded/polyhedron
pair_style bop
pair_style born
pair_style born/coul/dsf
pair_style born/coul/dsf/cs
pair_style born/coul/long
pair_style born/coul/long/cs
pair_style born/coul/long/cs/gpu
pair_style born/coul/long/gpu
pair_style born/coul/long/omp
pair_style born/coul/msm
pair_style born/coul/msm/omp
pair_style born/coul/wolf
pair_style born/coul/wolf/cs
pair_style born/coul/wolf/cs/gpu
pair_style born/coul/wolf/gpu
pair_style born/coul/wolf/omp
pair_style born/gauss
pair_style born/gpu
pair_style born/omp
pair_style bpm/spring
pair_style brownian
pair_style brownian/kk
pair_style brownian/omp
pair_style brownian/poly
pair_style brownian/poly/omp
pair_style buck
pair_style buck/coul/cut
pair_style buck/coul/cut/gpu
pair_style buck/coul/cut/intel
pair_style buck/coul/cut/kk
pair_style buck/coul/cut/omp
pair_style buck/coul/long
pair_style buck/coul/long/cs
pair_style buck/coul/long/gpu
pair_style buck/coul/long/intel
pair_style buck/coul/long/kk
pair_style buck/coul/long/omp
pair_style buck/coul/msm
pair_style buck/coul/msm/omp
pair_style buck/gpu
pair_style buck/intel
pair_style buck/kk
pair_style buck/long/coul/long
pair_style buck/long/coul/long/omp
pair_style buck/mdf
pair_style buck/omp
pair_style buck6d/coul/gauss/dsf
pair_style buck6d/coul/gauss/long
pair_style colloid
pair_style colloid/gpu
pair_style colloid/omp
pair_style comb
pair_style comb/omp
pair_style comb3
pair_style cosine/squared
pair_style coul/ctip
pair_style coul/cut
pair_style coul/cut/dielectric
pair_style coul/cut/global
pair_style coul/cut/global/omp
pair_style coul/cut/gpu
pair_style coul/cut/kk
pair_style coul/cut/omp
pair_style coul/cut/soft
pair_style coul/cut/soft/omp
pair_style coul/debye
pair_style coul/debye/gpu
pair_style coul/debye/kk
pair_style coul/debye/omp
pair_style coul/diel
pair_style coul/diel/omp
pair_style coul/dsf
pair_style coul/dsf/gpu
pair_style coul/dsf/kk
pair_style coul/dsf/omp
pair_style coul/exclude
pair_style coul/long
pair_style coul/long/cs
pair_style coul/long/cs/gpu
pair_style coul/long/dielectric
pair_style coul/long/gpu
pair_style coul/long/kk
pair_style coul/long/omp
pair_style coul/long/soft
pair_style coul/long/soft/omp
pair_style coul/msm
pair_style coul/msm/omp
pair_style coul/shield
pair_style coul/slater
pair_style coul/slater/cut
pair_style coul/slater/long
pair_style coul/slater/long/gpu
pair_style coul/streitz
pair_style coul/tt
pair_style coul/wolf
pair_style coul/wolf/cs
pair_style coul/wolf/kk
pair_style coul/wolf/omp
pair_style dpd
pair_style dpd/coul/slater/long
pair_style dpd/coul/slater/long/gpu
pair_style dpd/ext
pair_style dpd/ext/kk
pair_style dpd/ext/omp
pair_style dpd/ext/tstat
pair_style dpd/ext/tstat/kk
pair_style dpd/ext/tstat/omp
pair_style dpd/fdt
pair_style dpd/fdt/energy
pair_style dpd/fdt/energy/kk
pair_style dpd/gpu
pair_style dpd/intel
pair_style dpd/kk
pair_style dpd/omp
pair_style dpd/tstat
pair_style dpd/tstat/gpu
pair_style dpd/tstat/kk
pair_style dpd/tstat/omp
pair_style drip
pair_style dsmc
pair_style e3b
pair_style eam
pair_style eam/alloy
pair_style eam/alloy/gpu
pair_style eam/alloy/intel
pair_style eam/alloy/kk
pair_style eam/alloy/omp
pair_style eam/alloy/opt
pair_style eam/cd
pair_style eam/cd/old
pair_style eam/fs
pair_style eam/fs/gpu
pair_style eam/fs/intel
pair_style eam/fs/kk
pair_style eam/fs/omp
pair_style eam/fs/opt
pair_style eam/gpu
pair_style eam/he
pair_style eam/intel
pair_style eam/kk
pair_style eam/omp
pair_style eam/opt
pair_style edip
pair_style edip/multi
pair_style edip/omp
pair_style edpd
pair_style edpd/gpu
pair_style eff/cut
pair_style eim
pair_style eim/omp
pair_style exp6/rx
pair_style exp6/rx/kk
pair_style extep
pair_style gauss
pair_style gauss/cut
pair_style gauss/cut/omp
pair_style gauss/gpu
pair_style gauss/omp
pair_style gayberne
pair_style gayberne/gpu
pair_style gayberne/intel
pair_style gayberne/omp
pair_style gran/hertz/history
pair_style gran/hertz/history/omp
pair_style gran/hooke
pair_style gran/hooke/history
pair_style gran/hooke/history/kk
pair_style gran/hooke/history/omp
pair_style gran/hooke/omp
pair_style granular
pair_style gw
pair_style gw/zbl
pair_style harmonic/cut
pair_style harmonic/cut/omp
pair_style hbond/dreiding/lj
pair_style hbond/dreiding/lj/omp
pair_style hbond/dreiding/morse
pair_style hbond/dreiding/morse/omp
pair_style hdnnp
pair_style hippo
pair_style hippo/gpu
pair_style hybrid
pair_style hybrid/kk
pair_style hybrid/molecular
pair_style hybrid/molecular/omp
pair_style hybrid/omp
pair_style hybrid/overlay
pair_style hybrid/overlay/kk
pair_style hybrid/overlay/omp
pair_style hybrid/scaled
pair_style hybrid/scaled/omp
pair_style ilp/graphene/hbn
pair_style ilp/graphene/hbn/opt
pair_style ilp/tmd
pair_style ilp/tmd/opt
pair_style kim
pair_style kolmogorov/crespi/full
pair_style kolmogorov/crespi/z
pair_style lcbop
pair_style lebedeva/z
pair_style lennard/mdf
pair_style lepton
pair_style lepton/coul
pair_style lepton/coul/omp
pair_style lepton/omp
pair_style lepton/sphere
pair_style lepton/sphere/omp
pair_style line/lj
pair_style list
pair_style lj/charmm/coul/charmm
pair_style lj/charmm/coul/charmm/gpu
pair_style lj/charmm/coul/charmm/implicit
pair_style lj/charmm/coul/charmm/implicit/kk
pair_style lj/charmm/coul/charmm/implicit/omp
pair_style lj/charmm/coul/charmm/intel
pair_style lj/charmm/coul/charmm/kk
pair_style lj/charmm/coul/charmm/omp
pair_style lj/charmm/coul/long
pair_style lj/charmm/coul/long/gpu
pair_style lj/charmm/coul/long/intel
pair_style lj/charmm/coul/long/kk
pair_style lj/charmm/coul/long/omp
pair_style lj/charmm/coul/long/opt
pair_style lj/charmm/coul/long/soft
pair_style lj/charmm/coul/long/soft/omp
pair_style lj/charmm/coul/msm
pair_style lj/charmm/coul/msm/omp
pair_style lj/charmmfsw/coul/charmmfsh
pair_style lj/charmmfsw/coul/long
pair_style lj/charmmfsw/coul/long/kk
pair_style lj/class2
pair_style lj/class2/coul/cut
pair_style lj/class2/coul/cut/kk
pair_style lj/class2/coul/cut/omp
pair_style lj/class2/coul/cut/soft
pair_style lj/class2/coul/long
pair_style lj/class2/coul/long/cs
pair_style lj/class2/coul/long/gpu
pair_style lj/class2/coul/long/kk
pair_style lj/class2/coul/long/omp
pair_style lj/class2/coul/long/soft
pair_style lj/class2/gpu
pair_style lj/class2/kk
pair_style lj/class2/omp
pair_style lj/class2/soft
pair_style lj/cubic
pair_style lj/cubic/gpu
pair_style lj/cubic/omp
pair_style lj/cut
pair_style lj/cut/coul/cut
pair_style lj/cut/coul/cut/dielectric
pair_style lj/cut/coul/cut/dielectric/omp
pair_style lj/cut/coul/cut/gpu
pair_style lj/cut/coul/cut/kk
pair_style lj/cut/coul/cut/omp
pair_style lj/cut/coul/cut/soft
pair_style lj/cut/coul/cut/soft/gpu
pair_style lj/cut/coul/cut/soft/omp
pair_style lj/cut/coul/debye
pair_style lj/cut/coul/debye/dielectric
pair_style lj/cut/coul/debye/dielectric/omp
pair_style lj/cut/coul/debye/gpu
pair_style lj/cut/coul/debye/kk
pair_style lj/cut/coul/debye/omp
pair_style lj/cut/coul/dsf
pair_style lj/cut/coul/dsf/gpu
pair_style lj/cut/coul/dsf/kk
pair_style lj/cut/coul/dsf/omp
pair_style lj/cut/coul/long
pair_style lj/cut/coul/long/cs
pair_style lj/cut/coul/long/dielectric
pair_style lj/cut/coul/long/dielectric/omp
pair_style lj/cut/coul/long/gpu
pair_style lj/cut/coul/long/intel
pair_style lj/cut/coul/long/kk
pair_style lj/cut/coul/long/omp
pair_style lj/cut/coul/long/opt
pair_style lj/cut/coul/long/soft
pair_style lj/cut/coul/long/soft/gpu
pair_style lj/cut/coul/long/soft/omp
pair_style lj/cut/coul/msm
pair_style lj/cut/coul/msm/dielectric
pair_style lj/cut/coul/msm/gpu
pair_style lj/cut/coul/msm/omp
pair_style lj/cut/coul/wolf
pair_style lj/cut/coul/wolf/omp
pair_style lj/cut/dipole/cut
pair_style lj/cut/dipole/cut/gpu
pair_style lj/cut/dipole/cut/kk
pair_style lj/cut/dipole/cut/omp
pair_style lj/cut/dipole/long
pair_style lj/cut/dipole/long/gpu
pair_style lj/cut/gpu
pair_style lj/cut/intel
pair_style lj/cut/kk
pair_style lj/cut/omp
pair_style lj/cut/opt
pair_style lj/cut/soft
pair_style lj/cut/soft/omp
pair_style lj/cut/sphere
pair_style lj/cut/sphere/omp
pair_style lj/cut/thole/long
pair_style lj/cut/thole/long/omp
pair_style lj/cut/tip4p/cut
pair_style lj/cut/tip4p/cut/omp
pair_style lj/cut/tip4p/long
pair_style lj/cut/tip4p/long/gpu
pair_style lj/cut/tip4p/long/omp
pair_style lj/cut/tip4p/long/opt
pair_style lj/cut/tip4p/long/soft
pair_style lj/cut/tip4p/long/soft/omp
pair_style lj/expand
pair_style lj/expand/coul/long
pair_style lj/expand/coul/long/gpu
pair_style lj/expand/coul/long/kk
pair_style lj/expand/gpu
pair_style lj/expand/kk
pair_style lj/expand/omp
pair_style lj/expand/sphere
pair_style lj/expand/sphere/omp
pair_style lj/gromacs
pair_style lj/gromacs/coul/gromacs
pair_style lj/gromacs/coul/gromacs/kk
pair_style lj/gromacs/coul/gromacs/omp
pair_style lj/gromacs/gpu
pair_style lj/gromacs/kk
pair_style lj/gromacs/omp
pair_style lj/long/coul/long
pair_style lj/long/coul/long/dielectric
pair_style lj/long/coul/long/intel
pair_style lj/long/coul/long/omp
pair_style lj/long/coul/long/opt
pair_style lj/long/dipole/long
pair_style lj/long/tip4p/long
pair_style lj/long/tip4p/long/omp
pair_style lj/mdf
pair_style lj/relres
pair_style lj/relres/omp
pair_style lj/sf/dipole/sf
pair_style lj/sf/dipole/sf/gpu
pair_style lj/sf/dipole/sf/omp
pair_style lj/smooth
pair_style lj/smooth/gpu
pair_style lj/smooth/linear
pair_style lj/smooth/linear/omp
pair_style lj/smooth/omp
pair_style lj/spica
pair_style lj/spica/coul/long
pair_style lj/spica/coul/long/gpu
pair_style lj/spica/coul/long/kk
pair_style lj/spica/coul/long/omp
pair_style lj/spica/coul/msm
pair_style lj/spica/coul/msm/omp
pair_style lj/spica/gpu
pair_style lj/spica/kk
pair_style lj/spica/omp
pair_style lj/switch3/coulgauss/long
pair_style lj96/cut
pair_style lj96/cut/gpu
pair_style lj96/cut/omp
pair_style local/density
pair_style lubricate
pair_style lubricate/omp
pair_style lubricate/poly
pair_style lubricate/poly/omp
pair_style lubricateU
pair_style lubricateU/poly
pair_style mdpd
pair_style mdpd/gpu
pair_style mdpd/rhosum
pair_style meam
pair_style meam/kk
pair_style meam/ms
pair_style meam/ms/kk
pair_style meam/spline
pair_style meam/spline/omp
pair_style meam/sw/spline
pair_style mesocnt
pair_style mesocnt/viscous
pair_style mgpt
pair_style mie/cut
pair_style mie/cut/gpu
pair_style mliap
pair_style mliap/kk
pair_style mm3/switch3/coulgauss/long
pair_style momb
pair_style morse
pair_style morse/gpu
pair_style morse/kk
pair_style morse/omp
pair_style morse/opt
pair_style morse/smooth/linear
pair_style morse/smooth/linear/omp
pair_style morse/soft
pair_style multi/lucy
pair_style multi/lucy/rx
pair_style multi/lucy/rx/kk
pair_style nb3b/harmonic
pair_style nb3b/screened
pair_style nm/cut
pair_style nm/cut/coul/cut
pair_style nm/cut/coul/cut/omp
pair_style nm/cut/coul/long
pair_style nm/cut/coul/long/omp
pair_style nm/cut/omp
pair_style nm/cut/split
pair_style none
pair_style oxdna/coaxstk
pair_style oxdna/excv
pair_style oxdna/hbond
pair_style oxdna/stk
pair_style oxdna/xstk
pair_style oxdna2/coaxstk
pair_style oxdna2/dh
pair_style oxdna2/excv
pair_style oxdna2/hbond
pair_style oxdna2/stk
pair_style oxdna2/xstk
pair_style oxrna2/coaxstk
pair_style oxrna2/dh
pair_style oxrna2/excv
pair_style oxrna2/hbond
pair_style oxrna2/stk
pair_style oxrna2/xstk
pair_style pace
pair_style pace/extrapolation
pair_style pace/extrapolation/kk
pair_style pace/kk
pair_style pedone
pair_style pedone/omp
pair_style peri/eps
pair_style peri/lps
pair_style peri/lps/omp
pair_style peri/pmb
pair_style peri/pmb/omp
pair_style peri/ves
pair_style pod
pair_style pod/kk
pair_style polymorphic
pair_style python
pair_style quip
pair_style rann
pair_style reaxff
pair_style reaxff/kk
pair_style reaxff/omp
pair_style rebo
pair_style rebo/intel
pair_style rebo/omp
pair_style rebomos
pair_style rebomos/omp
pair_style resquared
pair_style resquared/gpu
pair_style resquared/omp
pair_style rheo
pair_style rheo/solid
pair_style saip/metal
pair_style saip/metal/opt
pair_style sdpd/taitwater/isothermal
pair_style smatb
pair_style smatb/single
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 snap/intel
pair_style snap/kk
pair_style soft
pair_style soft/gpu
pair_style soft/kk
pair_style soft/omp
pair_style sph/heatconduction
pair_style sph/heatconduction/gpu
pair_style sph/idealgas
pair_style sph/lj
pair_style sph/lj/gpu
pair_style sph/rhosum
pair_style sph/taitwater
pair_style sph/taitwater/gpu
pair_style sph/taitwater/morris
pair_style spin/dipole/cut
pair_style spin/dipole/long
pair_style spin/dmi
pair_style spin/exchange
pair_style spin/exchange/biquadratic
pair_style spin/magelec
pair_style spin/neel
pair_style srp
pair_style srp/react
pair_style sw
pair_style sw/angle/table
pair_style sw/gpu
pair_style sw/intel
pair_style sw/kk
pair_style sw/mod
pair_style sw/mod/omp
pair_style sw/omp
pair_style table
pair_style table/gpu
pair_style table/kk
pair_style table/omp
pair_style table/rx
pair_style table/rx/kk
pair_style tdpd
pair_style tersoff
pair_style tersoff/gpu
pair_style tersoff/intel
pair_style tersoff/kk
pair_style tersoff/mod
pair_style tersoff/mod/c
pair_style tersoff/mod/c/omp
pair_style tersoff/mod/gpu
pair_style tersoff/mod/kk
pair_style tersoff/mod/omp
pair_style tersoff/omp
pair_style tersoff/table
pair_style tersoff/table/omp
pair_style tersoff/zbl
pair_style tersoff/zbl/gpu
pair_style tersoff/zbl/kk
pair_style tersoff/zbl/omp
pair_style thole
pair_style threebody/table
pair_style tip4p/cut
pair_style tip4p/cut/omp
pair_style tip4p/long
pair_style tip4p/long/omp
pair_style tip4p/long/soft
pair_style tip4p/long/soft/omp
pair_style tracker
pair_style tri/lj
pair_style uf3
pair_style uf3/kk
pair_style ufm
pair_style ufm/gpu
pair_style ufm/omp
pair_style ufm/opt
pair_style vashishta
pair_style vashishta/gpu
pair_style vashishta/kk
pair_style vashishta/omp
pair_style vashishta/table
pair_style vashishta/table/omp
pair_style wf/cut
pair_style ylz
pair_style yukawa
pair_style yukawa/colloid
pair_style yukawa/colloid/gpu
pair_style yukawa/colloid/kk
pair_style yukawa/colloid/omp
pair_style yukawa/gpu
pair_style yukawa/kk
pair_style yukawa/omp
pair_style zbl
pair_style zbl/gpu
pair_style zbl/kk
pair_style zbl/omp
pair_style zero
pair_write
partition
platform::chdir (C++ function)
platform::compiler_info (C++ function)
platform::compress_info (C++ function)
platform::compressed_read (C++ function)
platform::compressed_write (C++ function)
platform::cputime (C++ function)
platform::current_directory (C++ function)
platform::cxx_standard (C++ function)
platform::disk_free (C++ function)
platform::dlclose (C++ function)
platform::dlerror (C++ function)
platform::dlopen (C++ function)
platform::dlsym (C++ function)
platform::END_OF_FILE (C++ member)
platform::file_is_readable (C++ function)
platform::filepathsep (C++ member)
platform::find_exe_path (C++ function)
platform::fseek (C++ function)
platform::ftell (C++ function)
platform::ftruncate (C++ function)
platform::guesspath (C++ function)
platform::has_compress_extension (C++ function)
platform::is_console (C++ function)
platform::list_directory (C++ function)
platform::list_pathenv (C++ function)
platform::mkdir (C++ function)
platform::mpi_info (C++ function)
platform::mpi_vendor (C++ function)
platform::openmp_standard (C++ function)
platform::os_info (C++ function)
platform::path_basename (C++ function)
platform::path_is_directory (C++ function)
platform::path_join (C++ function)
platform::pathvarsep (C++ member)
platform::pclose (C++ function)
platform::popen (C++ function)
platform::putenv (C++ function)
platform::rmdir (C++ function)
platform::unlink (C++ function)
platform::unsetenv (C++ function)
platform::usleep (C++ function)
platform::walltime (C++ function)
plugin
plugin_count() (fortran function)
plugin_name() (fortran subroutine)
Pointers (C++ class)
position (lammps.Atom property)
(lammps.Atom2D property)
PotentialFileReader (C++ class)
PotentialFileReader::ignore_comments (C++ function)
PotentialFileReader::next_bigint (C++ function)
PotentialFileReader::next_double (C++ function)
PotentialFileReader::next_dvector (C++ function)
PotentialFileReader::next_int (C++ function)
PotentialFileReader::next_line (C++ function)
PotentialFileReader::next_string (C++ function)
PotentialFileReader::next_tagint (C++ function)
PotentialFileReader::next_values (C++ function)
PotentialFileReader::PotentialFileReader (C++ function)
PotentialFileReader::rewind (C++ function)
PotentialFileReader::skip_line (C++ function)
PotentialFileReader::~PotentialFileReader (C++ function)
prd
print
processors
PyLammps (class in lammps)
python
Q
quit
R
radius (lammps.Atom property)
read_data
read_dump
read_restart
region
replicate
rerun
reset_atoms
reset_box() (fortran subroutine)
(lammps.lammps method)
reset_timestep
restart
run
run() (lammps.PyLammps method)
run_style
S
scatter() (fortran subroutine)
scatter_atoms() (fortran subroutine)
scatter_atoms_subset() (fortran subroutine)
scatter_subset() (fortran subroutine)
set
set_fix_external_callback() (fortran subroutine)
(lammps.lammps method)
set_fix_external_set_virial_peratom() (fortran subroutine)
set_internal_variable() (fortran subroutine)
(lammps.lammps method)
set_string_variable() (fortran subroutine)
(lammps.lammps method)
set_variable() (fortran subroutine)
(lammps.lammps method)
shell
size (lammps.NeighList property)
special_bonds
style_count() (fortran function)
style_name() (fortran subroutine)
suffix
system (lammps.PyLammps property)
T
tad
temper
temper/grem
temper/npt
TextFileReader (C++ class)
TextFileReader::ignore_comments (C++ member)
TextFileReader::next_dvector (C++ function)
TextFileReader::next_line (C++ function)
TextFileReader::next_values (C++ function)
TextFileReader::rewind (C++ function)
TextFileReader::set_bufsize (C++ function)
TextFileReader::skip_line (C++ function)
TextFileReader::TextFileReader (C++ function)
,
[1]
TextFileReader::~TextFileReader (C++ function)
thermo
thermo_modify
thermo_style
third_order
third_order/kk
timer
timestep
Tokenizer (C++ class)
Tokenizer::as_vector (C++ function)
Tokenizer::contains (C++ function)
Tokenizer::count (C++ function)
Tokenizer::has_next (C++ function)
Tokenizer::matches (C++ function)
Tokenizer::next (C++ function)
Tokenizer::reset (C++ function)
Tokenizer::skip (C++ function)
Tokenizer::Tokenizer (C++ function)
TokenizerException (C++ class)
TokenizerException::TokenizerException (C++ function)
TokenizerException::what (C++ function)
torque (lammps.Atom property)
type (lammps.Atom property)
U
ubuf (C++ union)
ubuf::d (C++ member)
ubuf::i (C++ member)
ubuf::ubuf (C++ function)
,
[1]
,
[2]
uncompute
undump
unfix
units
utils::binary_search (C++ function)
utils::bnumeric (C++ function)
,
[1]
utils::bounds (C++ function)
utils::bounds_typelabel (C++ function)
utils::check_packages_for_style (C++ function)
utils::count_words (C++ function)
,
[1]
,
[2]
utils::current_date (C++ function)
utils::date2num (C++ function)
utils::errorurl (C++ function)
utils::expand_args (C++ function)
utils::expand_type (C++ function)
utils::fgets_trunc (C++ function)
utils::flush_buffers (C++ function)
utils::get_conversion_factor (C++ function)
utils::get_potential_date (C++ function)
utils::get_potential_file_path (C++ function)
utils::get_potential_units (C++ function)
utils::get_supported_conversions (C++ function)
utils::getsyserror (C++ function)
utils::has_utf8 (C++ function)
utils::inumeric (C++ function)
,
[1]
utils::is_double (C++ function)
utils::is_id (C++ function)
utils::is_integer (C++ function)
utils::is_type (C++ function)
utils::join_words (C++ function)
utils::logical (C++ function)
,
[1]
utils::logmesg (C++ function)
,
[1]
utils::lowercase (C++ function)
utils::merge_sort (C++ function)
utils::missing_cmd_args (C++ function)
utils::numeric (C++ function)
,
[1]
utils::open_potential (C++ function)
utils::parse_grid_id (C++ function)
utils::read_lines_from_file (C++ function)
utils::sfgets (C++ function)
utils::sfread (C++ function)
utils::split_lines (C++ function)
utils::split_words (C++ function)
utils::star_subst (C++ function)
utils::strdup (C++ function)
utils::strfind (C++ function)
utils::strip_style_suffix (C++ function)
utils::strmatch (C++ function)
utils::timespec2seconds (C++ function)
utils::tnumeric (C++ function)
,
[1]
utils::trim (C++ function)
utils::trim_and_count_words (C++ function)
utils::trim_comment (C++ function)
utils::uppercase (C++ function)
utils::utf8_subst (C++ function)
V
ValueTokenizer (C++ class)
ValueTokenizer::contains (C++ function)
ValueTokenizer::count (C++ function)
ValueTokenizer::has_next (C++ function)
ValueTokenizer::matches (C++ function)
ValueTokenizer::next_bigint (C++ function)
ValueTokenizer::next_double (C++ function)
ValueTokenizer::next_int (C++ function)
ValueTokenizer::next_string (C++ function)
ValueTokenizer::next_tagint (C++ function)
ValueTokenizer::skip (C++ function)
ValueTokenizer::ValueTokenizer (C++ function)
variable
variables (lammps.PyLammps property)
velocity
(lammps.Atom property)
(lammps.Atom2D property)
version() (fortran function)
(lammps.lammps method)
(lammps.PyLammps method)
video() (lammps.IPyLammps method)
W
write_coeff
write_data
write_dump
write_restart
write_script() (lammps.PyLammps method)
Version
latest
Versions
latest
stable
29 Aug 2024
Downloads
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Git Info
29Aug2024-642-g59bbc5bcc1