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- - - - - - - - - - - + + + + + + + + + +
nonehybridairebobuck
buck/coul/cutbuck/coul/longcolloiddipole/cut
dpdeameam/opteam/alloy
eam/alloy/opteam/fseam/fs/optgayberne
gran/hertziangran/historygran/no_historylj/charmm/coul/charmm
lj/charmm/coul/charmm/implicitlj/charmm/coul/longlj/charmm/coul/long/optlj/class2
lj/class2/coul/cutlj/class2/coul/longlj/cutlj/cut/opt
lj/cut/coul/cutlj/cut/coul/debyelj/cut/coul/longlj/cut/coul/long/tip4p
lj/expandlj/smoothmeammorse
morse/optsoftswtable
tersoffyukawa +
nonehybridbuckbuck/coul/cut
buck/coul/longcolloiddipole/cutdpd
eameam/opteam/alloyeam/alloy/opt
eam/fseam/fs/optgaybernegran/hertzian
gran/historygran/no_historylj/charmm/coul/charmmlj/charmm/coul/charmm/implicit
lj/charmm/coul/longlj/charmm/coul/long/optlj/class2lj/class2/coul/cut
lj/class2/coul/longlj/cutlj/cut/optlj/cut/coul/cut
lj/cut/coul/debyelj/cut/coul/longlj/cut/coul/long/tip4plj/expand
lj/smoothmeammorsemorse/opt
softswtabletersoff
yukawa

diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index 5efd8e093e..4fe7875174 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -459,7 +459,6 @@ full description: "none"_pair_none.html, "hybrid"_pair_hybrid.html, -"airebo"_pair_airebo.html, "buck"_pair_buck.html, "buck/coul/cut"_pair_buck.html, "buck/coul/long"_pair_buck.html, diff --git a/doc/pair_coeff.html b/doc/pair_coeff.html index 0e7a248c90..88efbdb276 100644 --- a/doc/pair_coeff.html +++ b/doc/pair_coeff.html @@ -86,15 +86,18 @@ the pair_style command, and coefficients specified by the associated
-
  • pair_style airebo - AI-REBO potential -
  • pair_style buck - Buckingham potential +
    • pair_style buck - Buckingham potential
    • pair_style buck/coul/cut - Buckinhham with cutoff Coulomb
    • pair_style buck/coul/long - Buckingham with long-range Coulomb
    • pair_style colloid - integrated colloidal potential +
    • pair_style dipole/cut - point dipole potential
    • pair_style dpd - dissipative particle dynamics (DPD)
    • pair_style eam - embedded atom method (EAM) +
    • pair_style eam/opt - optimized embedded atom method (EAM)
    • pair_style eam/alloy - alloy EAM +
    • pair_style eam/alloy/opt - optimized alloy EAM
    • pair_style eam/fs - Finnis-Sinclair EAM +
    • pair_style eam/fs/opt - optimized Finnis-Sinclair EAM
    • pair_style gayberne - Gay-Berne ellipsoidal potential
    • pair_style gran/hertzian - granular potential with Hertizain interactions
    • pair_style gran/history - granular potential with history effects @@ -102,10 +105,12 @@ the pair_style command, and coefficients specified by the associated
    • pair_style lj/charmm/coul/charmm - CHARMM potential with cutoff Coulomb
    • pair_style lj/charmm/coul/charmm/implicit - CHARMM for implicit solvent
    • pair_style lj/charmm/coul/long - CHARMM with long-range Coulomb +
    • pair_style lj/charmm/coul/long/opt - optimized CHARMM with long-range Coulomb
    • pair_style lj/class2 - COMPASS (class 2) force field with no Coulomb
    • pair_style lj/class2/coul/cut - COMPASS with cutoff Coulomb
    • pair_style lj/class2/coul/long - COMPASS with long-range Coulomb
    • pair_style lj/cut - cutoff Lennard-Jones potential with no Coulomb +
    • pair_style lj/cut/opt - optimized cutoff Lennard-Jones potential with no Coulomb
    • pair_style lj/cut/coul/cut - LJ with cutoff Coulomb
    • pair_style lj/cut/coul/debye - LJ with Debye damping added to Coulomb
    • pair_style lj/cut/coul/long - LJ with long-range Coulomb @@ -114,6 +119,7 @@ the pair_style command, and coefficients specified by the associated
    • pair_style lj/smooth - smoothed Lennard-Jones potential
    • pair_style meam - modified embedded atom method (MEAM)
    • pair_style morse - Morse potential +
    • pair_style morse/opt - optimized Morse potential
    • pair_style soft - Soft (cosine) potential
    • pair_style sw - Stillinger-Weber 3-body potential
    • pair_style table - tabulated pair potential diff --git a/doc/pair_coeff.txt b/doc/pair_coeff.txt index 8420835bf8..040236aa0b 100644 --- a/doc/pair_coeff.txt +++ b/doc/pair_coeff.txt @@ -82,16 +82,18 @@ the pair_style command, and coefficients specified by the associated "pair_style none"_pair_none.html - turn off pairwise interactions "pair_style hybrid"_pair_hybrid.html - define multiple styles of pairwise interactions :ul - -"pair_style airebo"_pair_airebo.html - AI-REBO potential "pair_style buck"_pair_buck.html - Buckingham potential "pair_style buck/coul/cut"_pair_buck.html - Buckinhham with cutoff Coulomb "pair_style buck/coul/long"_pair_buck.html - Buckingham with long-range Coulomb "pair_style colloid"_pair_colloid.html - integrated colloidal potential +"pair_style dipole/cut"_pair_dpd.html - point dipole potential "pair_style dpd"_pair_dpd.html - dissipative particle dynamics (DPD) "pair_style eam"_pair_eam.html - embedded atom method (EAM) +"pair_style eam/opt"_pair_eam.html - optimized embedded atom method (EAM) "pair_style eam/alloy"_pair_eam.html - alloy EAM +"pair_style eam/alloy/opt"_pair_eam.html - optimized alloy EAM "pair_style eam/fs"_pair_eam.html - Finnis-Sinclair EAM +"pair_style eam/fs/opt"_pair_eam.html - optimized Finnis-Sinclair EAM "pair_style gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential "pair_style gran/hertzian"_pair_gran.html - granular potential with Hertizain interactions "pair_style gran/history"_pair_gran.html - granular potential with history effects @@ -99,10 +101,12 @@ the pair_style command, and coefficients specified by the associated "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/long/opt"_pair_charmm.html - optimized CHARMM with long-range Coulomb "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/cut"_pair_lj.html - cutoff Lennard-Jones potential with no Coulomb +"pair_style lj/cut/opt"_pair_lj.html - optimized 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 damping added to Coulomb "pair_style lj/cut/coul/long"_pair_lj.html - LJ with long-range Coulomb @@ -111,6 +115,7 @@ the pair_style command, and coefficients specified by the associated "pair_style lj/smooth"_pair_lj_smooth.html - smoothed Lennard-Jones potential "pair_style meam"_pair_meam.html - modified embedded atom method (MEAM) "pair_style morse"_pair_morse.html - Morse potential +"pair_style morse/opt"_pair_morse.html - optimized Morse 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 diff --git a/doc/pair_style.html b/doc/pair_style.html index 28ee0c7f27..d5c658f74d 100644 --- a/doc/pair_style.html +++ b/doc/pair_style.html @@ -17,14 +17,17 @@
      • style = one of the following -
        • none, hybrid, airebo, buck, buck/coul/cut, buck/coul/long, -
        • dpd, eam, eam/alloy or eam/fs, gran/hertzian, -
        • gran/history, gran/no_history, lj/charmm/coul/charmm, -
        • lj/charmm/coul/charmm/implicit or lj/charmm/coul/long, -
        • lj/class2, lj/class2/coul/cut or lj/class2/coul/long, lj/cut, -
        • lj/cut/coul/cut or lj/cut/coul/debye, lj/cut/coul/long, -
        • lj/cut/coul/long/tip4p, lj/expand, lj/smooth, meam, morse, -
        • soft, sw, table, tersoff, yukawa +
          • none, hybrid, buck, buck/coul/cut, buck/coul/long, +
          • colloid, dipole/cut, dpd, eam, eam/opt, eam/alloy, +
          • eam/alloy/opt, eam/fs, eam/fs/opt, gayberne, +
          • gran/hertzian, gran/history, gran/no_history, +
          • lj/charmm/coul/charmm, lj/charmm/coul/charmm/opt, +
          • lj/charmm/coul/charmm/implicit, lj/charmm/coul/long, +
          • lj/class2, lj/class2/coul/cut, lj/class2/coul/long, +
          • lj/cut, lj/cut/opt, lj/cut/coul/cut, +
          • lj/cut/coul/debye, lj/cut/coul/long, lj/cut/coul/long/tip4p, +
          • lj/expand, lj/smooth, meam, morse, morse/opt, soft, sw, table, +
          • tersoff, yukawa
        • args = arguments used by a particular style
        @@ -92,15 +95,18 @@ the pair_style command, and coefficients specified by the associated -
        • pair_style airebo - AI-REBO potential -
        • pair_style buck - Buckingham potential +
          • pair_style buck - Buckingham potential
          • pair_style buck/coul/cut - Buckinhham with cutoff Coulomb
          • pair_style buck/coul/long - Buckingham with long-range Coulomb
          • pair_style colloid - integrated colloidal potential +
          • pair_style dipole/cut - point dipole potential
          • pair_style dpd - dissipative particle dynamics (DPD)
          • pair_style eam - embedded atom method (EAM) +
          • pair_style eam/opt - optimized embedded atom method (EAM)
          • pair_style eam/alloy - alloy EAM +
          • pair_style eam/alloy/opt - optimized alloy EAM
          • pair_style eam/fs - Finnis-Sinclair EAM +
          • pair_style eam/fs/opt - optimized Finnis-Sinclair EAM
          • pair_style gayberne - Gay-Berne ellipsoidal potential
          • pair_style gran/hertzian - granular potential with Hertizain interactions
          • pair_style gran/history - granular potential with history effects @@ -108,10 +114,12 @@ the pair_style command, and coefficients specified by the associated
          • pair_style lj/charmm/coul/charmm - CHARMM potential with cutoff Coulomb
          • pair_style lj/charmm/coul/charmm/implicit - CHARMM for implicit solvent
          • pair_style lj/charmm/coul/long - CHARMM with long-range Coulomb +
          • pair_style lj/charmm/coul/long/opt - optimized CHARMM with long-range Coulomb
          • pair_style lj/class2 - COMPASS (class 2) force field with no Coulomb
          • pair_style lj/class2/coul/cut - COMPASS with cutoff Coulomb
          • pair_style lj/class2/coul/long - COMPASS with long-range Coulomb
          • pair_style lj/cut - cutoff Lennard-Jones potential with no Coulomb +
          • pair_style lj/cut/opt - optimized cutoff Lennard-Jones potential with no Coulomb
          • pair_style lj/cut/coul/cut - LJ with cutoff Coulomb
          • pair_style lj/cut/coul/debye - LJ with Debye damping added to Coulomb
          • pair_style lj/cut/coul/long - LJ with long-range Coulomb @@ -120,6 +128,7 @@ the pair_style command, and coefficients specified by the associated
          • pair_style lj/smooth - smoothed Lennard-Jones potential
          • pair_style meam - modified embedded atom method (MEAM)
          • pair_style morse - Morse potential +
          • pair_style morse/opt - optimized Morse potential
          • pair_style soft - Soft (cosine) potential
          • pair_style sw - Stillinger-Weber 3-body potential
          • pair_style table - tabulated pair potential diff --git a/doc/pair_style.txt b/doc/pair_style.txt index 251bc7a15c..d546574415 100644 --- a/doc/pair_style.txt +++ b/doc/pair_style.txt @@ -14,14 +14,17 @@ pair_style style args :pre style = one of the following :ulb,l -{none}, {hybrid}, {airebo}, {buck}, {buck/coul/cut}, {buck/coul/long}, -{dpd}, {eam}, {eam/alloy} or {eam/fs}, {gran/hertzian}, -{gran/history}, {gran/no_history}, {lj/charmm/coul/charmm}, -{lj/charmm/coul/charmm/implicit} or {lj/charmm/coul/long}, -{lj/class2}, {lj/class2/coul/cut} or {lj/class2/coul/long}, {lj/cut}, -{lj/cut/coul/cut} or {lj/cut/coul/debye}, {lj/cut/coul/long}, -{lj/cut/coul/long/tip4p}, {lj/expand}, {lj/smooth}, {meam}, {morse}, -{soft}, {sw}, {table}, {tersoff}, {yukawa} :ul +{none}, {hybrid}, {buck}, {buck/coul/cut}, {buck/coul/long}, +{colloid}, {dipole/cut}, {dpd}, {eam}, {eam/opt}, {eam/alloy}, +{eam/alloy/opt}, {eam/fs}, {eam/fs/opt}, {gayberne}, +{gran/hertzian}, {gran/history}, {gran/no_history}, +{lj/charmm/coul/charmm}, {lj/charmm/coul/charmm/opt}, +{lj/charmm/coul/charmm/implicit}, {lj/charmm/coul/long}, +{lj/class2}, {lj/class2/coul/cut}, {lj/class2/coul/long}, +{lj/cut}, {lj/cut/opt}, {lj/cut/coul/cut}, +{lj/cut/coul/debye}, {lj/cut/coul/long}, {lj/cut/coul/long/tip4p}, +{lj/expand}, {lj/smooth}, {meam}, {morse}, {morse/opt}, {soft}, {sw}, {table}, +{tersoff}, {yukawa} :ul args = arguments used by a particular style :l,ule @@ -89,15 +92,18 @@ the pair_style command, and coefficients specified by the associated "pair_style none"_pair_none.html - turn off pairwise interactions "pair_style hybrid"_pair_hybrid.html - define multiple styles of pairwise interactions :ul -"pair_style airebo"_pair_airebo.html - AI-REBO potential "pair_style buck"_pair_buck.html - Buckingham potential "pair_style buck/coul/cut"_pair_buck.html - Buckinhham with cutoff Coulomb "pair_style buck/coul/long"_pair_buck.html - Buckingham with long-range Coulomb "pair_style colloid"_pair_colloid.html - integrated colloidal potential +"pair_style dipole/cut"_pair_dpd.html - point dipole potential "pair_style dpd"_pair_dpd.html - dissipative particle dynamics (DPD) "pair_style eam"_pair_eam.html - embedded atom method (EAM) +"pair_style eam/opt"_pair_eam.html - optimized embedded atom method (EAM) "pair_style eam/alloy"_pair_eam.html - alloy EAM +"pair_style eam/alloy/opt"_pair_eam.html - optimized alloy EAM "pair_style eam/fs"_pair_eam.html - Finnis-Sinclair EAM +"pair_style eam/fs/opt"_pair_eam.html - optimized Finnis-Sinclair EAM "pair_style gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential "pair_style gran/hertzian"_pair_gran.html - granular potential with Hertizain interactions "pair_style gran/history"_pair_gran.html - granular potential with history effects @@ -105,10 +111,12 @@ the pair_style command, and coefficients specified by the associated "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/long/opt"_pair_charmm.html - optimized CHARMM with long-range Coulomb "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/cut"_pair_lj.html - cutoff Lennard-Jones potential with no Coulomb +"pair_style lj/cut/opt"_pair_lj.html - optimized 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 damping added to Coulomb "pair_style lj/cut/coul/long"_pair_lj.html - LJ with long-range Coulomb @@ -117,6 +125,7 @@ the pair_style command, and coefficients specified by the associated "pair_style lj/smooth"_pair_lj_smooth.html - smoothed Lennard-Jones potential "pair_style meam"_pair_meam.html - modified embedded atom method (MEAM) "pair_style morse"_pair_morse.html - Morse potential +"pair_style morse/opt"_pair_morse.html - optimized Morse 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