Index

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