diff --git a/doc/src/Commands_bond.txt b/doc/src/Commands_bond.txt index 773202f126..d4d48924a7 100644 --- a/doc/src/Commands_bond.txt +++ b/doc/src/Commands_bond.txt @@ -34,7 +34,7 @@ OPT. "fene (iko)"_bond_fene.html, "fene/expand (o)"_bond_fene_expand.html, "gromos (o)"_bond_gromos.html, -"harmonic (ko)"_bond_harmonic.html, +"harmonic (iko)"_bond_harmonic.html, "harmonic/shift (o)"_bond_harmonic_shift.html, "harmonic/shift/cut (o)"_bond_harmonic_shift_cut.html, "morse (o)"_bond_morse.html, @@ -57,9 +57,11 @@ OPT. "zero"_angle_zero.html, "hybrid"_angle_hybrid.html :tb(c=3,ea=c) -"charmm (ko)"_angle_charmm.html, +"charmm (iko)"_angle_charmm.html, "class2 (ko)"_angle_class2.html, +"class2/p6"_angle_class2.html, "cosine (o)"_angle_cosine.html, +"cosine/buck6d"_angle_cosine_buck6d.html, "cosine/delta (o)"_angle_cosine_delta.html, "cosine/periodic (o)"_angle_cosine_periodic.html, "cosine/shift (o)"_angle_cosine_shift.html, @@ -97,7 +99,7 @@ OPT. "nharmonic (o)"_dihedral_nharmonic.html, "opls (iko)"_dihedral_opls.html, "quadratic (o)"_dihedral_quadratic.html, -"spherical (o)"_dihedral_spherical.html, +"spherical"_dihedral_spherical.html, "table (o)"_dihedral_table.html, "table/cut"_dihedral_table_cut.html :tb(c=4,ea=c) @@ -112,7 +114,7 @@ OPT. "none"_improper_none.html, "zero"_improper_zero.html, -"hybrid"_improper_hybrid.html :tb(c=3,ea=c) +"hybrid"_improper_hybrid.html :tb(c=3,ea=c) "class2 (ko)"_improper_class2.html, "cossq (o)"_improper_cossq.html, @@ -120,5 +122,6 @@ OPT. "distance"_improper_distance.html, "fourier (o)"_improper_fourier.html, "harmonic (iko)"_improper_harmonic.html, +"inversion/harmonic"_improper_inversion_harmonic.html, "ring (o)"_improper_ring.html, "umbrella (o)"_improper_umbrella.html :tb(c=4,ea=c) diff --git a/doc/src/Commands_compute.txt b/doc/src/Commands_compute.txt index 81b618a6e2..62629db91e 100644 --- a/doc/src/Commands_compute.txt +++ b/doc/src/Commands_compute.txt @@ -92,6 +92,7 @@ KOKKOS, o = USER-OMP, t = OPT. "pe/tally"_compute_tally.html, "plasticity/atom"_compute_plasticity_atom.html, "pressure"_compute_pressure.html, +"pressure/cylinder"_compute_pressure_cylinder.html, "pressure/uef"_compute_pressure_uef.html, "property/atom"_compute_property_atom.html, "property/chunk"_compute_property_chunk.html, @@ -118,7 +119,7 @@ KOKKOS, o = USER-OMP, t = OPT. "smd/tlsph/strain"_compute_smd_tlsph_strain.html, "smd/tlsph/strain/rate"_compute_smd_tlsph_strain_rate.html, "smd/tlsph/stress"_compute_smd_tlsph_stress.html, -"smd/triangle/mesh/vertices"_compute_smd_triangle_vertices.html, +"smd/triangle/vertices"_compute_smd_triangle_vertices.html, "smd/ulsph/num/neighs"_compute_smd_ulsph_num_neighs.html, "smd/ulsph/strain"_compute_smd_ulsph_strain.html, "smd/ulsph/strain/rate"_compute_smd_ulsph_strain_rate.html, @@ -129,6 +130,8 @@ KOKKOS, o = USER-OMP, t = OPT. "snav/atom"_compute_sna_atom.html, "spin"_compute_spin.html, "stress/atom"_compute_stress_atom.html, +"stress/mop"_compute_stress_mop.html, +"stress/mop/profile"_compute_stress_mop.html, "stress/tally"_compute_tally.html, "tdpd/cc/atom"_compute_tdpd_cc_atom.html, "temp (k)"_compute_temp.html, @@ -136,6 +139,7 @@ KOKKOS, o = USER-OMP, t = OPT. "temp/body"_compute_temp_body.html, "temp/chunk"_compute_temp_chunk.html, "temp/com"_compute_temp_com.html, +"temp/cs"_compute_temp_cs.html, "temp/deform"_compute_temp_deform.html, "temp/deform/eff"_compute_temp_deform_eff.html, "temp/drude"_compute_temp_drude.html, diff --git a/doc/src/Commands_fix.txt b/doc/src/Commands_fix.txt index 58828d5c9e..4144c7eb90 100644 --- a/doc/src/Commands_fix.txt +++ b/doc/src/Commands_fix.txt @@ -40,11 +40,13 @@ OPT. "ave/time"_fix_ave_time.html, "aveforce"_fix_aveforce.html, "balance"_fix_balance.html, +"bocs"_fix_bocs.html, "bond/break"_fix_bond_break.html, "bond/create"_fix_bond_create.html, "bond/react"_fix_bond_react.html, "bond/swap"_fix_bond_swap.html, "box/relax"_fix_box_relax.html, +"client/md"_fix_client_md.html, "cmap"_fix_cmap.html, "colvars"_fix_colvars.html, "controller"_fix_controller.html, @@ -54,7 +56,7 @@ OPT. "drag"_fix_drag.html, "drude"_fix_drude.html, "drude/transform/direct"_fix_drude_transform.html, -"drude/transform/reverse"_fix_drude_transform.html, +"drude/transform/inverse"_fix_drude_transform.html, "dt/reset"_fix_dt_reset.html, "edpd/source"_fix_dpd_source.html, "efield"_fix_efield.html, @@ -107,15 +109,16 @@ OPT. "nph/eff"_fix_nh_eff.html, "nph/sphere (ko)"_fix_nph_sphere.html, "nphug (o)"_fix_nphug.html, -"npt (kio)"_fix_nh.html, +"npt (iko)"_fix_nh.html, "npt/asphere (o)"_fix_npt_asphere.html, "npt/body"_fix_npt_body.html, "npt/eff"_fix_nh_eff.html, "npt/sphere (o)"_fix_npt_sphere.html, "npt/uef"_fix_nh_uef.html, -"nve (kio)"_fix_nve.html, +"nve (iko)"_fix_nve.html, "nve/asphere (i)"_fix_nve_asphere.html, "nve/asphere/noforce"_fix_nve_asphere_noforce.html, +"nve/awpmd"_fix_nve_awpmd.html, "nve/body"_fix_nve_body.html, "nve/dot"_fix_nve_dot.html, "nve/dotc/langevin"_fix_nve_dotc_langevin.html, @@ -170,26 +173,26 @@ OPT. "rhok"_fix_rhok.html, "rigid (o)"_fix_rigid.html, "rigid/nph (o)"_fix_rigid.html, +"rigid/nph/small"_fix_rigid.html, "rigid/npt (o)"_fix_rigid.html, +"rigid/npt/small"_fix_rigid.html, "rigid/nve (o)"_fix_rigid.html, +"rigid/nve/small"_fix_rigid.html, "rigid/nvt (o)"_fix_rigid.html, +"rigid/nvt/small"_fix_rigid.html, "rigid/small (o)"_fix_rigid.html, -"rigid/small/nph"_fix_rigid.html, -"rigid/small/npt"_fix_rigid.html, -"rigid/small/nve"_fix_rigid.html, -"rigid/small/nvt"_fix_rigid.html, "rx (k)"_fix_rx.html, "saed/vtk"_fix_saed_vtk.html, "setforce (k)"_fix_setforce.html, "shake"_fix_shake.html, "shardlow (k)"_fix_shardlow.html, "smd"_fix_smd.html, -"smd/adjust/dt"_fix_smd_adjust_dt.html, -"smd/integrate/tlsph"_fix_smd_integrate_tlsph.html, -"smd/integrate/ulsph"_fix_smd_integrate_ulsph.html, -"smd/move/triangulated/surface"_fix_smd_move_triangulated_surface.html, +"smd/adjust_dt"_fix_smd_adjust_dt.html, +"smd/integrate_tlsph"_fix_smd_integrate_tlsph.html, +"smd/integrate_ulsph"_fix_smd_integrate_ulsph.html, +"smd/move_tri_surf"_fix_smd_move_triangulated_surface.html, "smd/setvel"_fix_smd_setvel.html, -"smd/wall/surface"_fix_smd_wall_surface.html, +"smd/wall_surface"_fix_smd_wall_surface.html, "spring"_fix_spring.html, "spring/chunk"_fix_spring_chunk.html, "spring/rg"_fix_spring_rg.html, diff --git a/doc/src/Commands_pair.txt b/doc/src/Commands_pair.txt index 090101d5ea..85ebcdda10 100644 --- a/doc/src/Commands_pair.txt +++ b/doc/src/Commands_pair.txt @@ -31,8 +31,8 @@ OPT. "adp (o)"_pair_adp.html, "agni (o)"_pair_agni.html, -"airebo (oi)"_pair_airebo.html, -"airebo/morse (oi)"_pair_airebo.html, +"airebo (io)"_pair_airebo.html, +"airebo/morse (io)"_pair_airebo.html, "atm"_pair_atm.html, "awpmd/cut"_pair_awpmd.html, "beck (go)"_pair_beck.html, @@ -42,21 +42,23 @@ OPT. "bop"_pair_bop.html, "born (go)"_pair_born.html, "born/coul/dsf"_pair_born.html, -"born/coul/dsf/cs"_pair_born.html, +"born/coul/dsf/cs"_pair_cs.html, "born/coul/long (go)"_pair_born.html, -"born/coul/long/cs"_pair_born.html, +"born/coul/long/cs (g)"_pair_cs.html, "born/coul/msm (o)"_pair_born.html, "born/coul/wolf (go)"_pair_born.html, -"born/coul/wolf/cs"_pair_born.html, +"born/coul/wolf/cs (g)"_pair_cs.html, "brownian (o)"_pair_brownian.html, "brownian/poly (o)"_pair_brownian.html, "buck (giko)"_pair_buck.html, "buck/coul/cut (giko)"_pair_buck.html, "buck/coul/long (giko)"_pair_buck.html, -"buck/coul/long/cs"_pair_buck.html, +"buck/coul/long/cs"_pair_cs.html, "buck/coul/msm (o)"_pair_buck.html, "buck/long/coul/long (o)"_pair_buck_long.html, "buck/mdf"_pair_mdf.html, +"buck6d/coul/gauss/dsf"_pair_buck6d_coul_gauss.html, +"buck6d/coul/gauss/long"_pair_buck6d_coul_gauss.html, "colloid (go)"_pair_colloid.html, "comb (o)"_pair_comb.html, "comb3"_pair_comb.html, @@ -68,7 +70,7 @@ OPT. "coul/long (gko)"_pair_coul.html, "coul/long/cs"_pair_coul.html, "coul/long/soft (o)"_pair_lj_soft.html, -"coul/msm"_pair_coul.html, +"coul/msm (o)"_pair_coul.html, "coul/shield"_pair_coul_shield.html, "coul/streitz"_pair_coul.html, "coul/wolf (ko)"_pair_coul.html, @@ -91,7 +93,7 @@ OPT. "exp6/rx (k)"_pair_exp6_rx.html, "extep"_pair_extep.html, "gauss (go)"_pair_gauss.html, -"gauss/cut"_pair_gauss.html, +"gauss/cut (o)"_pair_gauss.html, "gayberne (gio)"_pair_gayberne.html, "gran/hertz/history (o)"_pair_gran.html, "gran/hooke (o)"_pair_gran.html, @@ -110,9 +112,9 @@ OPT. "list"_pair_list.html, "lj/charmm/coul/charmm (iko)"_pair_charmm.html, "lj/charmm/coul/charmm/implicit (ko)"_pair_charmm.html, -"lj/charmm/coul/long (giko)"_pair_charmm.html, -"lj/charmm/coul/long/soft (o)"_pair_charmm.html, -"lj/charmm/coul/msm"_pair_charmm.html, +"lj/charmm/coul/long (gikot)"_pair_charmm.html, +"lj/charmm/coul/long/soft (o)"_pair_lj_soft.html, +"lj/charmm/coul/msm (o)"_pair_charmm.html, "lj/charmmfsw/coul/charmmfsh"_pair_charmm.html, "lj/charmmfsw/coul/long"_pair_charmm.html, "lj/class2 (gko)"_pair_class2.html, @@ -130,7 +132,7 @@ OPT. "lj/cut/coul/msm (go)"_pair_lj.html, "lj/cut/coul/wolf (o)"_pair_lj.html, "lj/cut/dipole/cut (go)"_pair_dipole.html, -"lj/cut/dipole/long"_pair_dipole.html, +"lj/cut/dipole/long (g)"_pair_dipole.html, "lj/cut/dipole/sf (go)"_pair_dipole.html, "lj/cut/soft (o)"_pair_lj_soft.html, "lj/cut/thole/long (o)"_pair_thole.html, @@ -138,15 +140,17 @@ OPT. "lj/cut/tip4p/long (ot)"_pair_lj.html, "lj/cut/tip4p/long/soft (o)"_pair_lj_soft.html, "lj/expand (gko)"_pair_lj_expand.html, +"lj/expand/coul/long (g)"_pair_lj_expand.html, "lj/gromacs (gko)"_pair_gromacs.html, "lj/gromacs/coul/gromacs (ko)"_pair_gromacs.html, -"lj/long/coul/long (io)"_pair_lj_long.html, +"lj/long/coul/long (iot)"_pair_lj_long.html, "lj/long/dipole/long"_pair_dipole.html, -"lj/long/tip4p/long"_pair_lj_long.html, +"lj/long/tip4p/long (o)"_pair_lj_long.html, "lj/mdf"_pair_mdf.html, "lj/sdk (gko)"_pair_sdk.html, "lj/sdk/coul/long (go)"_pair_sdk.html, "lj/sdk/coul/msm (o)"_pair_sdk.html, +"lj/sf/dipole/sf (go)"_pair_dipole.html, "lj/smooth (o)"_pair_lj_smooth.html, "lj/smooth/linear (o)"_pair_lj_smooth_linear.html, "lj96/cut (go)"_pair_lj96.html, @@ -161,10 +165,10 @@ OPT. "meam/spline (o)"_pair_meam_spline.html, "meam/sw/spline"_pair_meam_sw_spline.html, "mgpt"_pair_mgpt.html, -"mie/cut (o)"_pair_mie.html, +"mie/cut (g)"_pair_mie.html, "momb"_pair_momb.html, "morse (gkot)"_pair_morse.html, -"morse/smooth/linear"_pair_morse.html, +"morse/smooth/linear (o)"_pair_morse.html, "morse/soft"_pair_morse.html, "multi/lucy"_pair_multi_lucy.html, "multi/lucy/rx (k)"_pair_multi_lucy_rx.html, @@ -180,7 +184,9 @@ OPT. "oxdna2/coaxstk"_pair_oxdna2.html, "oxdna2/dh"_pair_oxdna2.html, "oxdna2/excv"_pair_oxdna2.html, +"oxdna2/hbond"_pair_oxdna2.html, "oxdna2/stk"_pair_oxdna2.html, +"oxdna2/xstk"_pair_oxdna2.html, "peri/eps"_pair_peri.html, "peri/lps (o)"_pair_peri.html, "peri/pmb (o)"_pair_peri.html, @@ -190,11 +196,11 @@ OPT. "quip"_pair_quip.html, "reax"_pair_reax.html, "reax/c (ko)"_pair_reaxc.html, -"rebo (oi)"_pair_airebo.html, +"rebo (io)"_pair_airebo.html, "resquared (go)"_pair_resquared.html, "smd/hertz"_pair_smd_hertz.html, "smd/tlsph"_pair_smd_tlsph.html, -"smd/triangulated/surface"_pair_smd_triangulated_surface.html, +"smd/tri_surface"_pair_smd_triangulated_surface.html, "smd/ulsph"_pair_smd_ulsph.html, "smtbq"_pair_smtbq.html, "snap (k)"_pair_snap.html, @@ -226,8 +232,8 @@ OPT. "tip4p/long/soft (o)"_pair_lj_soft.html, "tri/lj"_pair_tri_lj.html, "ufm (got)"_pair_ufm.html, -"vashishta (ko)"_pair_vashishta.html, +"vashishta (gko)"_pair_vashishta.html, "vashishta/table (o)"_pair_vashishta.html, -"yukawa (gok)"_pair_yukawa.html, +"yukawa (gko)"_pair_yukawa.html, "yukawa/colloid (go)"_pair_yukawa_colloid.html, -"zbl (gok)"_pair_zbl.html :tb(c=4,ea=c) +"zbl (gko)"_pair_zbl.html :tb(c=4,ea=c) diff --git a/doc/src/angle_style.txt b/doc/src/angle_style.txt index 756cfc0c60..817179eacf 100644 --- a/doc/src/angle_style.txt +++ b/doc/src/angle_style.txt @@ -62,18 +62,18 @@ which are included in the LAMMPS distribution. The full list of all angle styles are is on the "Commands bond"_Commands_bond.html#angle doc page. -"angle_style none"_angle_none.html - turn off angle interactions -"angle_style zero"_angle_zero.html - topology but no interactions -"angle_style hybrid"_angle_hybrid.html - define multiple styles of angle interactions :ul +"none"_angle_none.html - turn off angle interactions +"zero"_angle_zero.html - topology but no interactions +"hybrid"_angle_hybrid.html - define multiple styles of angle interactions :ul -"angle_style charmm"_angle_charmm.html - CHARMM angle -"angle_style class2"_angle_class2.html - COMPASS (class 2) angle -"angle_style cosine"_angle_cosine.html - cosine angle potential -"angle_style cosine/delta"_angle_cosine_delta.html - difference of cosines angle potential -"angle_style cosine/periodic"_angle_cosine_periodic.html - DREIDING angle -"angle_style cosine/squared"_angle_cosine_squared.html - cosine squared angle potential -"angle_style harmonic"_angle_harmonic.html - harmonic angle -"angle_style table"_angle_table.html - tabulated by angle :ul +"charmm"_angle_charmm.html - CHARMM angle +"class2"_angle_class2.html - COMPASS (class 2) angle +"cosine"_angle_cosine.html - cosine angle potential +"cosine/delta"_angle_cosine_delta.html - difference of cosines angle potential +"cosine/periodic"_angle_cosine_periodic.html - DREIDING angle +"cosine/squared"_angle_cosine_squared.html - cosine squared angle potential +"harmonic"_angle_harmonic.html - harmonic angle +"table"_angle_table.html - tabulated by angle :ul :line diff --git a/doc/src/bond_style.txt b/doc/src/bond_style.txt index 22fae3e346..dd406c7da0 100644 --- a/doc/src/bond_style.txt +++ b/doc/src/bond_style.txt @@ -69,18 +69,18 @@ Note that there are also additional bond styles submitted by users which are included in the LAMMPS distribution. The full list of all bond styles is on the "Commands bond"_Commands_bond.html doc page. -"bond_style none"_bond_none.html - turn off bonded interactions -"bond_style zero"_bond_zero.html - topology but no interactions -"bond_style hybrid"_bond_hybrid.html - define multiple styles of bond interactions :ul +"none"_bond_none.html - turn off bonded interactions +"zero"_bond_zero.html - topology but no interactions +"hybrid"_bond_hybrid.html - define multiple styles of bond interactions :ul -"bond_style class2"_bond_class2.html - COMPASS (class 2) bond -"bond_style fene"_bond_fene.html - FENE (finite-extensible non-linear elastic) bond -"bond_style fene/expand"_bond_fene_expand.html - FENE bonds with variable size particles -"bond_style harmonic"_bond_harmonic.html - harmonic bond -"bond_style morse"_bond_morse.html - Morse bond -"bond_style nonlinear"_bond_nonlinear.html - nonlinear bond -"bond_style quartic"_bond_quartic.html - breakable quartic bond -"bond_style table"_bond_table.html - tabulated by bond length :ul +"class2"_bond_class2.html - COMPASS (class 2) bond +"fene"_bond_fene.html - FENE (finite-extensible non-linear elastic) bond +"fene/expand"_bond_fene_expand.html - FENE bonds with variable size particles +"harmonic"_bond_harmonic.html - harmonic bond +"morse"_bond_morse.html - Morse bond +"nonlinear"_bond_nonlinear.html - nonlinear bond +"quartic"_bond_quartic.html - breakable quartic bond +"table"_bond_table.html - tabulated by bond length :ul :line diff --git a/doc/src/compute.txt b/doc/src/compute.txt index 72ea1c1930..14ab84b436 100644 --- a/doc/src/compute.txt +++ b/doc/src/compute.txt @@ -230,15 +230,19 @@ compute"_Commands_compute.html doc page are followed by one or more of "reduce/region"_compute_reduce.html - same as compute reduce, within a region "rigid/local"_compute_rigid_local.html - extract rigid body attributes "slice"_compute_slice.html - extract values from global vector or array +"smd/triangle/vertices"_compute_smd_triangle_vertices.html - "sna/atom"_compute_sna_atom.html - calculate bispectrum coefficients for each atom "snad/atom"_compute_sna_atom.html - derivative of bispectrum coefficients for each atom "snav/atom"_compute_sna_atom.html - virial contribution from bispectrum coefficients for each atom "stress/atom"_compute_stress_atom.html - stress tensor for each atom +"stress/mop"_compute_stress_mop.html - +"stress/mop/profile"_compute_stress_mop.html - "temp"_compute_temp.html - temperature of group of atoms "temp/asphere"_compute_temp_asphere.html - temperature of aspherical particles "temp/body"_compute_temp_body.html - temperature of body particles "temp/chunk"_compute_temp_chunk.html - temperature of each chunk "temp/com"_compute_temp_com.html - temperature after subtracting center-of-mass velocity +"temp/cs"_compute_temp_cs.html - "temp/deform"_compute_temp_deform.html - temperature excluding box deformation velocity "temp/partial"_compute_temp_partial.html - temperature excluding one or more dimensions of velocity "temp/profile"_compute_temp_profile.html - temperature excluding a binned velocity profile diff --git a/doc/src/dihedral_style.txt b/doc/src/dihedral_style.txt index 749f74e399..9744f1b71f 100644 --- a/doc/src/dihedral_style.txt +++ b/doc/src/dihedral_style.txt @@ -85,16 +85,16 @@ which are included in the LAMMPS distribution. The full list of all dihedral styles is on the "Commands bond"_Commands_bond.html#dihedral doc page. -"dihedral_style none"_dihedral_none.html - turn off dihedral interactions -"dihedral_style zero"_dihedral_zero.html - topology but no interactions -"dihedral_style hybrid"_dihedral_hybrid.html - define multiple styles of dihedral interactions :ul +"none"_dihedral_none.html - turn off dihedral interactions +"zero"_dihedral_zero.html - topology but no interactions +"hybrid"_dihedral_hybrid.html - define multiple styles of dihedral interactions :ul -"dihedral_style charmm"_dihedral_charmm.html - CHARMM dihedral -"dihedral_style class2"_dihedral_class2.html - COMPASS (class 2) dihedral -"dihedral_style harmonic"_dihedral_harmonic.html - harmonic dihedral -"dihedral_style helix"_dihedral_helix.html - helix dihedral -"dihedral_style multi/harmonic"_dihedral_multi_harmonic.html - multi-harmonic dihedral -"dihedral_style opls"_dihedral_opls.html - OPLS dihedral :ul +"charmm"_dihedral_charmm.html - CHARMM dihedral +"class2"_dihedral_class2.html - COMPASS (class 2) dihedral +"harmonic"_dihedral_harmonic.html - harmonic dihedral +"helix"_dihedral_helix.html - helix dihedral +"multi/harmonic"_dihedral_multi_harmonic.html - multi-harmonic dihedral +"opls"_dihedral_opls.html - OPLS dihedral :ul :line diff --git a/doc/src/improper_style.txt b/doc/src/improper_style.txt index ef0c524d14..c9db7678a9 100644 --- a/doc/src/improper_style.txt +++ b/doc/src/improper_style.txt @@ -64,14 +64,14 @@ which are included in the LAMMPS distribution. The full list of all improper styles is on the "Commands bond"_Commands_bond.html#improper doc page. -"improper_style none"_improper_none.html - turn off improper interactions -"improper_style zero"_improper_zero.html - topology but no interactions -"improper_style hybrid"_improper_hybrid.html - define multiple styles of improper interactions :ul +"none"_improper_none.html - turn off improper interactions +"zero"_improper_zero.html - topology but no interactions +"hybrid"_improper_hybrid.html - define multiple styles of improper interactions :ul -"improper_style class2"_improper_class2.html - COMPASS (class 2) improper -"improper_style cvff"_improper_cvff.html - CVFF improper -"improper_style harmonic"_improper_harmonic.html - harmonic improper -"improper_style umbrella"_improper_umbrella.html - DREIDING improper :ul +"class2"_improper_class2.html - COMPASS (class 2) improper +"cvff"_improper_cvff.html - CVFF improper +"harmonic"_improper_harmonic.html - harmonic improper +"umbrella"_improper_umbrella.html - DREIDING improper :ul :line diff --git a/doc/src/pair_born.txt b/doc/src/pair_born.txt index 9cbfcffea0..d12cea79a6 100644 --- a/doc/src/pair_born.txt +++ b/doc/src/pair_born.txt @@ -24,21 +24,21 @@ pair_style born/coul/dsf command :h3 pair_style style args :pre -style = {born} or {born/coul/long} or {born/coul/long/cs} or {born/coul/msm} or {born/coul/wolf} +style = {born} or {born/coul/long} or {born/coul/msm} or {born/coul/wolf} args = list of arguments for a particular style :ul {born} args = cutoff cutoff = global cutoff for non-Coulombic interactions (distance units) - {born/coul/long} or {born/coul/long/cs} args = cutoff (cutoff2) + {born/coul/long} args = cutoff (cutoff2) cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units) cutoff2 = global cutoff for Coulombic (optional) (distance units) {born/coul/msm} args = cutoff (cutoff2) cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units) cutoff2 = global cutoff for Coulombic (optional) (distance units) - {born/coul/wolf} or {born/coul/wolf/cs} args = alpha cutoff (cutoff2) + {born/coul/wolf} args = alpha cutoff (cutoff2) alpha = damping parameter (inverse distance units) cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units) cutoff2 = global cutoff for Coulombic (optional) (distance units) - {born/coul/dsf} or {born/coul/dsf/cs} args = alpha cutoff (cutoff2) + {born/coul/dsf} args = alpha cutoff (cutoff2) alpha = damping parameter (inverse distance units) cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units) cutoff2 = global cutoff for Coulombic (distance units) :pre diff --git a/doc/src/pair_coul.txt b/doc/src/pair_coul.txt index bc0d76a071..cf66c711c8 100644 --- a/doc/src/pair_coul.txt +++ b/doc/src/pair_coul.txt @@ -19,8 +19,6 @@ pair_style coul/dsf/gpu command :h3 pair_style coul/dsf/kk command :h3 pair_style coul/dsf/omp command :h3 pair_style coul/long command :h3 -pair_style coul/long/cs command :h3 -pair_style coul/long/cs/gpu command :h3 pair_style coul/long/omp command :h3 pair_style coul/long/gpu command :h3 pair_style coul/long/kk command :h3 @@ -30,7 +28,6 @@ pair_style coul/streitz command :h3 pair_style coul/wolf command :h3 pair_style coul/wolf/kk command :h3 pair_style coul/wolf/omp command :h3 -pair_style coul/wolf/cs command :h3 pair_style tip4p/cut command :h3 pair_style tip4p/long command :h3 pair_style tip4p/cut/omp command :h3 @@ -42,10 +39,8 @@ pair_style coul/cut cutoff pair_style coul/debye kappa cutoff pair_style coul/dsf alpha cutoff pair_style coul/long cutoff -pair_style coul/long/cs cutoff pair_style coul/long/gpu cutoff pair_style coul/wolf alpha cutoff -pair_style coul/wolf/cs alpha cutoff pair_style coul/streitz cutoff keyword alpha pair_style tip4p/cut otype htype btype atype qdist cutoff pair_style tip4p/long otype htype btype atype qdist cutoff :pre @@ -68,14 +63,12 @@ pair_style coul/dsf 0.05 10.0 pair_coeff * * :pre pair_style coul/long 10.0 -pair_style coul/long/cs 10.0 pair_coeff * * :pre pair_style coul/msm 10.0 pair_coeff * * :pre pair_style coul/wolf 0.2 9.0 -pair_style coul/wolf/cs 0.2 9.0 pair_coeff * * :pre pair_style coul/streitz 12.0 ewald @@ -204,12 +197,6 @@ option. The Coulombic cutoff specified for this style means that pairwise interactions within this distance are computed directly; interactions outside that distance are computed in reciprocal space. -Style {coul/long/cs} is identical to {coul/long} except that a term is -added for the "core/shell model"_Howto_coreshell.html to allow charges -on core and shell particles to be separated by r = 0.0. The same -correction is introduced for the {coul/wolf/cs} style which is -identical to {coul/wolf}. - Styles {tip4p/cut} and {tip4p/long} implement the coulomb part of the TIP4P water model of "(Jorgensen)"_#Jorgensen3, which introduces a massless site located a short distance away from the oxygen atom @@ -317,9 +304,9 @@ This pair style can only be used via the {pair} keyword of the [Restrictions:] The {coul/long}, {coul/msm} and {tip4p/long} styles are part of the -KSPACE package. The {coul/long/cs} style is part of the CORESHELL -package. They are only enabled if LAMMPS was built with that package. -See the "Build package"_Build_package.html doc page for more info. +KSPACE package. They are only enabled if LAMMPS was built with that +package. See the "Build package"_Build_package.html doc page for more +info. [Related commands:] diff --git a/doc/src/pair_cs.txt b/doc/src/pair_cs.txt index faaea42f15..80b971e393 100644 --- a/doc/src/pair_cs.txt +++ b/doc/src/pair_cs.txt @@ -12,6 +12,7 @@ pair_style buck/coul/long/cs command :h3 pair_style born/coul/dsf/cs command :h3 pair_style born/coul/wolf/cs command :h3 pair_style born/coul/wolf/cs/gpu command :h3 +pair_style lj/cut/coul/long/cs command :h3 [Syntax:] @@ -52,6 +53,11 @@ pair_style born/coul/wolf/cs 0.25 10.0 12.0 pair_coeff * * 0.0 1.00 0.00 0.00 0.00 pair_coeff 1 1 480.0 0.25 0.00 1.05 0.50 :pre +pair_style lj/cut/coul/long/cs 10.0 +pair_style lj/cut/coul/long/cs 10.0 8.0 +pair_coeff * * 100.0 3.0 +pair_coeff 1 1 100.0 3.5 9.0 :pre + [Description:] These pair styles are designed to be used with the adiabatic @@ -99,6 +105,11 @@ a long-range solver, thus the only correction is the addition of a minimal distance to avoid the possible r = 0.0 case for a core/shell pair. +Style {lj/cut/coul/long/cs} is identical to {lj/cut/coul/long} except +that a term is added for the "core/shell model"_Howto_coreshell.html +to allow charges on core and shell particles to be separated by r = +0.0. + :line Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are diff --git a/doc/src/pair_lj.txt b/doc/src/pair_lj.txt index 4939f505bb..9c61e0bf25 100644 --- a/doc/src/pair_lj.txt +++ b/doc/src/pair_lj.txt @@ -25,7 +25,6 @@ pair_style lj/cut/coul/dsf/gpu command :h3 pair_style lj/cut/coul/dsf/kk command :h3 pair_style lj/cut/coul/dsf/omp command :h3 pair_style lj/cut/coul/long command :h3 -pair_style lj/cut/coul/long/cs command :h3 pair_style lj/cut/coul/long/gpu command :h3 pair_style lj/cut/coul/long/kk command :h3 pair_style lj/cut/coul/long/intel command :h3 @@ -46,7 +45,7 @@ pair_style lj/cut/tip4p/long/opt command :h3 pair_style style args :pre -style = {lj/cut} or {lj/cut/coul/cut} or {lj/cut/coul/debye} or {lj/cut/coul/dsf} or {lj/cut/coul/long} or {lj/cut/coul/long/cs} or {lj/cut/coul/msm} or {lj/cut/tip4p/long} +style = {lj/cut} or {lj/cut/coul/cut} or {lj/cut/coul/debye} or {lj/cut/coul/dsf} or {lj/cut/coul/long} {lj/cut/coul/msm} or {lj/cut/tip4p/long} args = list of arguments for a particular style :ul {lj/cut} args = cutoff cutoff = global cutoff for Lennard Jones interactions (distance units) @@ -107,9 +106,7 @@ pair_coeff * * 1.0 1.0 pair_coeff 1 1 1.0 1.0 2.5 :pre pair_style lj/cut/coul/long 10.0 -pair_style lj/cut/coul/long/cs 10.0 pair_style lj/cut/coul/long 10.0 8.0 -pair_style lj/cut/coul/long/cs 10.0 8.0 pair_coeff * * 100.0 3.0 pair_coeff 1 1 100.0 3.5 9.0 :pre @@ -186,11 +183,6 @@ specified for this style means that pairwise interactions within this distance are computed directly; interactions outside that distance are computed in reciprocal space. -Style {lj/cut/coul/long/cs} is identical to {lj/cut/coul/long} except -that a term is added for the "core/shell model"_Howto_coreshell.html -to allow charges on core and shell particles to be separated by r = -0.0. - Style {coul/wolf} adds a Coulombic pairwise interaction via the Wolf summation method, described in "Wolf"_#Wolf1, given by: diff --git a/doc/src/pair_style.txt b/doc/src/pair_style.txt index 9dfead300e..86ac61c752 100644 --- a/doc/src/pair_style.txt +++ b/doc/src/pair_style.txt @@ -95,120 +95,122 @@ GPUs, and KNLs. The individual style names on the "Commands pair"_Commands_pair.html doc page are followed by one or more of (g,i,k,o,t) to indicate which accelerated styles exist. -"pair_style none"_pair_none.html - turn off pairwise interactions -"pair_style hybrid"_pair_hybrid.html - multiple styles of pairwise interactions -"pair_style hybrid/overlay"_pair_hybrid.html - multiple styles of superposed pairwise interactions -"pair_style zero"_pair_zero.html - neighbor list but no interactions :ul +"none"_pair_none.html - turn off pairwise interactions +"hybrid"_pair_hybrid.html - multiple styles of pairwise interactions +"hybrid/overlay"_pair_hybrid.html - multiple styles of superposed pairwise interactions +"zero"_pair_zero.html - neighbor list but no interactions :ul -"pair_style adp"_pair_adp.html - angular dependent potential (ADP) of Mishin -"pair_style airebo"_pair_airebo.html - AIREBO potential of Stuart -"pair_style airebo/morse"_pair_airebo.html - AIREBO with Morse instead of LJ -"pair_style atm"_pair_atm.html - Axilrod-Teller-Muto potential -"pair_style beck"_pair_beck.html - Beck potential -"pair_style body/nparticle"_pair_body_nparticle.html - interactions between body particles -"pair_style bop"_pair_bop.html - BOP potential of Pettifor -"pair_style born"_pair_born.html - Born-Mayer-Huggins potential -"pair_style born/coul/long"_pair_born.html - Born-Mayer-Huggins with long-range Coulombics -"pair_style born/coul/long/cs"_pair_born.html - Born-Mayer-Huggins with long-range Coulombics and core/shell -"pair_style born/coul/msm"_pair_born.html - Born-Mayer-Huggins with long-range MSM Coulombics -"pair_style born/coul/wolf"_pair_born.html - Born-Mayer-Huggins with Coulombics via Wolf potential -"pair_style brownian"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics -"pair_style brownian/poly"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics with polydispersity -"pair_style buck"_pair_buck.html - Buckingham potential -"pair_style buck/coul/cut"_pair_buck.html - Buckingham with cutoff Coulomb -"pair_style buck/coul/long"_pair_buck.html - Buckingham with long-range Coulombics -"pair_style buck/coul/long/cs"_pair_buck.html - Buckingham with long-range Coulombics and core/shell -"pair_style buck/coul/msm"_pair_buck.html - Buckingham long-range MSM Coulombics -"pair_style buck/long/coul/long"_pair_buck_long.html - long-range Buckingham with long-range Coulombics -"pair_style colloid"_pair_colloid.html - integrated colloidal potential -"pair_style comb"_pair_comb.html - charge-optimized many-body (COMB) potential -"pair_style comb3"_pair_comb.html - charge-optimized many-body (COMB3) potential -"pair_style coul/cut"_pair_coul.html - cutoff Coulombic potential -"pair_style coul/debye"_pair_coul.html - cutoff Coulombic potential with Debye screening -"pair_style coul/dsf"_pair_coul.html - Coulombics via damped shifted forces -"pair_style coul/long"_pair_coul.html - long-range Coulombic potential -"pair_style coul/long/cs"_pair_coul.html - long-range Coulombic potential and core/shell -"pair_style coul/msm"_pair_coul.html - long-range MSM Coulombics -"pair_style coul/streitz"_pair_coul.html - Coulombics via Streitz/Mintmire Slater orbitals -"pair_style coul/wolf"_pair_coul.html - Coulombics via Wolf potential -"pair_style dpd"_pair_dpd.html - dissipative particle dynamics (DPD) -"pair_style dpd/tstat"_pair_dpd.html - DPD thermostatting -"pair_style dsmc"_pair_dsmc.html - Direct Simulation Monte Carlo (DSMC) -"pair_style eam"_pair_eam.html - embedded atom method (EAM) -"pair_style eam/alloy"_pair_eam.html - alloy EAM -"pair_style eam/fs"_pair_eam.html - Finnis-Sinclair EAM -"pair_style eim"_pair_eim.html - embedded ion method (EIM) -"pair_style gauss"_pair_gauss.html - Gaussian potential -"pair_style gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential -"pair_style gran/hertz/history"_pair_gran.html - granular potential with Hertzian interactions -"pair_style gran/hooke"_pair_gran.html - granular potential with history effects -"pair_style gran/hooke/history"_pair_gran.html - granular potential without history effects -"pair_style hbond/dreiding/lj"_pair_hbond_dreiding.html - DREIDING hydrogen bonding LJ potential -"pair_style hbond/dreiding/morse"_pair_hbond_dreiding.html - DREIDING hydrogen bonding Morse potential -"pair_style kim"_pair_kim.html - interface to potentials provided by KIM project -"pair_style lcbop"_pair_lcbop.html - long-range bond-order potential (LCBOP) -"pair_style line/lj"_pair_line_lj.html - LJ potential between line segments -"pair_style lj/charmm/coul/charmm"_pair_charmm.html - CHARMM potential with cutoff Coulomb -"pair_style lj/charmm/coul/charmm/implicit"_pair_charmm.html - CHARMM for implicit solvent -"pair_style lj/charmm/coul/long"_pair_charmm.html - CHARMM with long-range Coulomb -"pair_style lj/charmm/coul/msm"_pair_charmm.html - CHARMM with long-range MSM Coulombics -"pair_style lj/class2"_pair_class2.html - COMPASS (class 2) force field with no Coulomb -"pair_style lj/class2/coul/cut"_pair_class2.html - COMPASS with cutoff Coulomb -"pair_style lj/class2/coul/long"_pair_class2.html - COMPASS with long-range Coulomb -"pair_style lj/cubic"_pair_lj_cubic.html - LJ with cubic after inflection point -"pair_style lj/cut"_pair_lj.html - cutoff Lennard-Jones potential with no Coulomb -"pair_style lj/cut/coul/cut"_pair_lj.html - LJ with cutoff Coulomb -"pair_style lj/cut/coul/debye"_pair_lj.html - LJ with Debye screening added to Coulomb -"pair_style lj/cut/coul/dsf"_pair_lj.html - LJ with Coulombics via damped shifted forces -"pair_style lj/cut/coul/long"_pair_lj.html - LJ with long-range Coulombics -"pair_style lj/cut/coul/long/cs"_pair_lj.html - LJ with long-range Coulombics and core/shell -"pair_style lj/cut/coul/msm"_pair_lj.html - LJ with long-range MSM Coulombics -"pair_style lj/cut/dipole/cut"_pair_dipole.html - point dipoles with cutoff -"pair_style lj/cut/dipole/long"_pair_dipole.html - point dipoles with long-range Ewald -"pair_style lj/cut/tip4p/cut"_pair_lj.html - LJ with cutoff Coulomb for TIP4P water -"pair_style lj/cut/tip4p/long"_pair_lj.html - LJ with long-range Coulomb for TIP4P water -"pair_style lj/expand"_pair_lj_expand.html - Lennard-Jones for variable size particles -"pair_style lj/gromacs"_pair_gromacs.html - GROMACS-style Lennard-Jones potential -"pair_style lj/gromacs/coul/gromacs"_pair_gromacs.html - GROMACS-style LJ and Coulombic potential -"pair_style lj/long/coul/long"_pair_lj_long.html - long-range LJ and long-range Coulombics -"pair_style lj/long/dipole/long"_pair_dipole.html - long-range LJ and long-range point dipoles -"pair_style lj/long/tip4p/long"_pair_lj_long.html - long-range LJ and long-range Coulomb for TIP4P water -"pair_style lj/smooth"_pair_lj_smooth.html - smoothed Lennard-Jones potential -"pair_style lj/smooth/linear"_pair_lj_smooth_linear.html - linear smoothed Lennard-Jones potential -"pair_style lj96/cut"_pair_lj96.html - Lennard-Jones 9/6 potential -"pair_style lubricate"_pair_lubricate.html - hydrodynamic lubrication forces -"pair_style lubricate/poly"_pair_lubricate.html - hydrodynamic lubrication forces with polydispersity -"pair_style lubricateU"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication Dynamics -"pair_style lubricateU/poly"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication with polydispersity -"pair_style meam"_pair_meam.html - modified embedded atom method (MEAM) -"pair_style mie/cut"_pair_mie.html - Mie potential -"pair_style morse"_pair_morse.html - Morse potential -"pair_style nb3b/harmonic"_pair_nb3b_harmonic.html - nonbonded 3-body harmonic potential -"pair_style nm/cut"_pair_nm.html - N-M potential -"pair_style nm/cut/coul/cut"_pair_nm.html - N-M potential with cutoff Coulomb -"pair_style nm/cut/coul/long"_pair_nm.html - N-M potential with long-range Coulombics -"pair_style peri/eps"_pair_peri.html - peridynamic EPS potential -"pair_style peri/lps"_pair_peri.html - peridynamic LPS potential -"pair_style peri/pmb"_pair_peri.html - peridynamic PMB potential -"pair_style peri/ves"_pair_peri.html - peridynamic VES potential -"pair_style polymorphic"_pair_polymorphic.html - polymorphic 3-body potential -"pair_style reax"_pair_reax.html - ReaxFF potential -"pair_style rebo"_pair_airebo.html - 2nd generation REBO potential of Brenner -"pair_style resquared"_pair_resquared.html - Everaers RE-Squared ellipsoidal potential -"pair_style snap"_pair_snap.html - SNAP quantum-accurate potential -"pair_style soft"_pair_soft.html - Soft (cosine) potential -"pair_style sw"_pair_sw.html - Stillinger-Weber 3-body potential -"pair_style table"_pair_table.html - tabulated pair potential -"pair_style tersoff"_pair_tersoff.html - Tersoff 3-body potential -"pair_style tersoff/mod"_pair_tersoff_mod.html - modified Tersoff 3-body potential -"pair_style tersoff/zbl"_pair_tersoff_zbl.html - Tersoff/ZBL 3-body potential -"pair_style tip4p/cut"_pair_coul.html - Coulomb for TIP4P water w/out LJ -"pair_style tip4p/long"_pair_coul.html - long-range Coulombics for TIP4P water w/out LJ -"pair_style tri/lj"_pair_tri_lj.html - LJ potential between triangles -"pair_style vashishta"_pair_vashishta.html - Vashishta 2-body and 3-body potential -"pair_style yukawa"_pair_yukawa.html - Yukawa potential -"pair_style yukawa/colloid"_pair_yukawa_colloid.html - screened Yukawa potential for finite-size particles -"pair_style zbl"_pair_zbl.html - Ziegler-Biersack-Littmark potential :ul +"adp"_pair_adp.html - angular dependent potential (ADP) of Mishin +"airebo"_pair_airebo.html - AIREBO potential of Stuart +"airebo/morse"_pair_airebo.html - AIREBO with Morse instead of LJ +"atm"_pair_atm.html - Axilrod-Teller-Muto potential +"beck"_pair_beck.html - Beck potential +"body/nparticle"_pair_body_nparticle.html - interactions between body particles +"bop"_pair_bop.html - BOP potential of Pettifor +"born"_pair_born.html - Born-Mayer-Huggins potential +"born/coul/long"_pair_born.html - Born-Mayer-Huggins with long-range Coulombics +"born/coul/long/cs"_pair_cs.html - Born-Mayer-Huggins with long-range Coulombics and core/shell +"born/coul/msm"_pair_born.html - Born-Mayer-Huggins with long-range MSM Coulombics +"born/coul/wolf"_pair_born.html - Born-Mayer-Huggins with Coulombics via Wolf potential +"brownian"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics +"brownian/poly"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics with polydispersity +"buck"_pair_buck.html - Buckingham potential +"buck/coul/cut"_pair_buck.html - Buckingham with cutoff Coulomb +"buck/coul/long"_pair_buck.html - Buckingham with long-range Coulombics +"buck/coul/long/cs"_pair_cs.html - Buckingham with long-range Coulombics and core/shell +"buck/coul/msm"_pair_buck.html - Buckingham long-range MSM Coulombics +"buck/long/coul/long"_pair_buck_long.html - long-range Buckingham with long-range Coulombics +"buck6d/coul/gauss/dsf"_pair_buck6d_coul_gauss.html - +"buck6d/coul/gauss/long"_pair_buck6d_coul_gauss.html - +"colloid"_pair_colloid.html - integrated colloidal potential +"comb"_pair_comb.html - charge-optimized many-body (COMB) potential +"comb3"_pair_comb.html - charge-optimized many-body (COMB3) potential +"coul/cut"_pair_coul.html - cutoff Coulombic potential +"coul/debye"_pair_coul.html - cutoff Coulombic potential with Debye screening +"coul/dsf"_pair_coul.html - Coulombics via damped shifted forces +"coul/long"_pair_coul.html - long-range Coulombic potential +"coul/long/cs"_pair_cs.html - long-range Coulombic potential and core/shell +"coul/msm"_pair_coul.html - long-range MSM Coulombics +"coul/streitz"_pair_coul.html - Coulombics via Streitz/Mintmire Slater orbitals +"coul/wolf"_pair_coul.html - Coulombics via Wolf potential +"dpd"_pair_dpd.html - dissipative particle dynamics (DPD) +"dpd/tstat"_pair_dpd.html - DPD thermostatting +"dsmc"_pair_dsmc.html - Direct Simulation Monte Carlo (DSMC) +"eam"_pair_eam.html - embedded atom method (EAM) +"eam/alloy"_pair_eam.html - alloy EAM +"eam/fs"_pair_eam.html - Finnis-Sinclair EAM +"eim"_pair_eim.html - embedded ion method (EIM) +"gauss"_pair_gauss.html - Gaussian potential +"gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential +"gran/hertz/history"_pair_gran.html - granular potential with Hertzian interactions +"gran/hooke"_pair_gran.html - granular potential with history effects +"gran/hooke/history"_pair_gran.html - granular potential without history effects +"hbond/dreiding/lj"_pair_hbond_dreiding.html - DREIDING hydrogen bonding LJ potential +"hbond/dreiding/morse"_pair_hbond_dreiding.html - DREIDING hydrogen bonding Morse potential +"kim"_pair_kim.html - interface to potentials provided by KIM project +"lcbop"_pair_lcbop.html - long-range bond-order potential (LCBOP) +"line/lj"_pair_line_lj.html - LJ potential between line segments +"lj/charmm/coul/charmm"_pair_charmm.html - CHARMM potential with cutoff Coulomb +"lj/charmm/coul/charmm/implicit"_pair_charmm.html - CHARMM for implicit solvent +"lj/charmm/coul/long"_pair_charmm.html - CHARMM with long-range Coulomb +"lj/charmm/coul/msm"_pair_charmm.html - CHARMM with long-range MSM Coulombics +"lj/class2"_pair_class2.html - COMPASS (class 2) force field with no Coulomb +"lj/class2/coul/cut"_pair_class2.html - COMPASS with cutoff Coulomb +"lj/class2/coul/long"_pair_class2.html - COMPASS with long-range Coulomb +"lj/cubic"_pair_lj_cubic.html - LJ with cubic after inflection point +"lj/cut"_pair_lj.html - cutoff Lennard-Jones potential with no Coulomb +"lj/cut/coul/cut"_pair_lj.html - LJ with cutoff Coulomb +"lj/cut/coul/debye"_pair_lj.html - LJ with Debye screening added to Coulomb +"lj/cut/coul/dsf"_pair_lj.html - LJ with Coulombics via damped shifted forces +"lj/cut/coul/long"_pair_lj.html - LJ with long-range Coulombics +"lj/cut/coul/long/cs"_pair_lj.html - LJ with long-range Coulombics and core/shell +"lj/cut/coul/msm"_pair_lj.html - LJ with long-range MSM Coulombics +"lj/cut/dipole/cut"_pair_dipole.html - point dipoles with cutoff +"lj/cut/dipole/long"_pair_dipole.html - point dipoles with long-range Ewald +"lj/cut/tip4p/cut"_pair_lj.html - LJ with cutoff Coulomb for TIP4P water +"lj/cut/tip4p/long"_pair_lj.html - LJ with long-range Coulomb for TIP4P water +"lj/expand"_pair_lj_expand.html - Lennard-Jones for variable size particles +"lj/gromacs"_pair_gromacs.html - GROMACS-style Lennard-Jones potential +"lj/gromacs/coul/gromacs"_pair_gromacs.html - GROMACS-style LJ and Coulombic potential +"lj/long/coul/long"_pair_lj_long.html - long-range LJ and long-range Coulombics +"lj/long/dipole/long"_pair_dipole.html - long-range LJ and long-range point dipoles +"lj/long/tip4p/long"_pair_lj_long.html - long-range LJ and long-range Coulomb for TIP4P water +"lj/smooth"_pair_lj_smooth.html - smoothed Lennard-Jones potential +"lj/smooth/linear"_pair_lj_smooth_linear.html - linear smoothed Lennard-Jones potential +"lj96/cut"_pair_lj96.html - Lennard-Jones 9/6 potential +"lubricate"_pair_lubricate.html - hydrodynamic lubrication forces +"lubricate/poly"_pair_lubricate.html - hydrodynamic lubrication forces with polydispersity +"lubricateU"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication Dynamics +"lubricateU/poly"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication with polydispersity +"meam"_pair_meam.html - modified embedded atom method (MEAM) +"mie/cut"_pair_mie.html - Mie potential +"morse"_pair_morse.html - Morse potential +"nb3b/harmonic"_pair_nb3b_harmonic.html - nonbonded 3-body harmonic potential +"nm/cut"_pair_nm.html - N-M potential +"nm/cut/coul/cut"_pair_nm.html - N-M potential with cutoff Coulomb +"nm/cut/coul/long"_pair_nm.html - N-M potential with long-range Coulombics +"peri/eps"_pair_peri.html - peridynamic EPS potential +"peri/lps"_pair_peri.html - peridynamic LPS potential +"peri/pmb"_pair_peri.html - peridynamic PMB potential +"peri/ves"_pair_peri.html - peridynamic VES potential +"polymorphic"_pair_polymorphic.html - polymorphic 3-body potential +"reax"_pair_reax.html - ReaxFF potential +"rebo"_pair_airebo.html - 2nd generation REBO potential of Brenner +"resquared"_pair_resquared.html - Everaers RE-Squared ellipsoidal potential +"snap"_pair_snap.html - SNAP quantum-accurate potential +"soft"_pair_soft.html - Soft (cosine) potential +"sw"_pair_sw.html - Stillinger-Weber 3-body potential +"table"_pair_table.html - tabulated pair potential +"tersoff"_pair_tersoff.html - Tersoff 3-body potential +"tersoff/mod"_pair_tersoff_mod.html - modified Tersoff 3-body potential +"tersoff/zbl"_pair_tersoff_zbl.html - Tersoff/ZBL 3-body potential +"tip4p/cut"_pair_coul.html - Coulomb for TIP4P water w/out LJ +"tip4p/long"_pair_coul.html - long-range Coulombics for TIP4P water w/out LJ +"tri/lj"_pair_tri_lj.html - LJ potential between triangles +"vashishta"_pair_vashishta.html - Vashishta 2-body and 3-body potential +"yukawa"_pair_yukawa.html - Yukawa potential +"yukawa/colloid"_pair_yukawa_colloid.html - screened Yukawa potential for finite-size particles +"zbl"_pair_zbl.html - Ziegler-Biersack-Littmark potential :ul :line