Loading doc/src/Commands_pair.rst +1 −0 Original line number Original line Diff line number Diff line Loading @@ -131,6 +131,7 @@ OPT. * :doc:`lj/class2/coul/cut (ko) <pair_class2>` * :doc:`lj/class2/coul/cut (ko) <pair_class2>` * :doc:`lj/class2/coul/cut/soft <pair_fep_soft>` * :doc:`lj/class2/coul/cut/soft <pair_fep_soft>` * :doc:`lj/class2/coul/long (gko) <pair_class2>` * :doc:`lj/class2/coul/long (gko) <pair_class2>` * :doc:`lj/class2/coul/long/cs <pair_cs>` * :doc:`lj/class2/coul/long/soft <pair_fep_soft>` * :doc:`lj/class2/coul/long/soft <pair_fep_soft>` * :doc:`lj/class2/soft <pair_fep_soft>` * :doc:`lj/class2/soft <pair_fep_soft>` * :doc:`lj/cubic (go) <pair_lj_cubic>` * :doc:`lj/cubic (go) <pair_lj_cubic>` Loading doc/src/pair_style.rst +44 −43 Original line number Original line Diff line number Diff line Loading @@ -111,41 +111,41 @@ accelerated styles exist. * :doc:`born <pair_born>` - Born-Mayer-Huggins potential * :doc:`born <pair_born>` - Born-Mayer-Huggins potential * :doc:`born/coul/dsf <pair_born>` - Born with damped-shifted-force model * :doc:`born/coul/dsf <pair_born>` - Born with damped-shifted-force model * :doc:`born/coul/dsf/cs <pair_cs>` - Born with damped-shifted-force and core/shell model * :doc:`born/coul/dsf/cs <pair_cs>` - Born with damped-shifted-force and core/shell model * :doc:`born/coul/long <pair_born>` - Born with long-range Coulombics * :doc:`born/coul/long <pair_born>` - Born with long-range Coulomb * :doc:`born/coul/long/cs <pair_cs>` - Born with long-range Coulombics and core/shell * :doc:`born/coul/long/cs <pair_cs>` - Born with long-range Coulomb and core/shell * :doc:`born/coul/msm <pair_born>` - Born with long-range MSM Coulombics * :doc:`born/coul/msm <pair_born>` - Born with long-range MSM Coulomb * :doc:`born/coul/wolf <pair_born>` - Born with Wolf potential for Coulombics * :doc:`born/coul/wolf <pair_born>` - Born with Wolf potential for Coulomb * :doc:`born/coul/wolf/cs <pair_cs>` - Born with Wolf potential for Coulombics and core/shell model * :doc:`born/coul/wolf/cs <pair_cs>` - Born with Wolf potential for Coulomb and core/shell model * :doc:`brownian <pair_brownian>` - Brownian potential for Fast Lubrication Dynamics * :doc:`brownian <pair_brownian>` - Brownian potential for Fast Lubrication Dynamics * :doc:`brownian/poly <pair_brownian>` - Brownian potential for Fast Lubrication Dynamics with polydispersity * :doc:`brownian/poly <pair_brownian>` - Brownian potential for Fast Lubrication Dynamics with polydispersity * :doc:`buck <pair_buck>` - Buckingham potential * :doc:`buck <pair_buck>` - Buckingham potential * :doc:`buck/coul/cut <pair_buck>` - Buckingham with cutoff Coulomb * :doc:`buck/coul/cut <pair_buck>` - Buckingham with cutoff Coulomb * :doc:`buck/coul/long <pair_buck>` - Buckingham with long-range Coulombics * :doc:`buck/coul/long <pair_buck>` - Buckingham with long-range Coulomb * :doc:`buck/coul/long/cs <pair_cs>` - Buckingham with long-range Coulombics and core/shell * :doc:`buck/coul/long/cs <pair_cs>` - Buckingham with long-range Coulomb and core/shell * :doc:`buck/coul/msm <pair_buck>` - Buckingham with long-range MSM Coulombics * :doc:`buck/coul/msm <pair_buck>` - Buckingham with long-range MSM Coulomb * :doc:`buck/long/coul/long <pair_buck_long>` - long-range Buckingham with long-range Coulombics * :doc:`buck/long/coul/long <pair_buck_long>` - long-range Buckingham with long-range Coulomb * :doc:`buck/mdf <pair_mdf>` - Buckingham with a taper function * :doc:`buck/mdf <pair_mdf>` - Buckingham with a taper function * :doc:`buck6d/coul/gauss/dsf <pair_buck6d_coul_gauss>` - dispersion-damped Buckingham with damped-shift-force model * :doc:`buck6d/coul/gauss/dsf <pair_buck6d_coul_gauss>` - dispersion-damped Buckingham with damped-shift-force model * :doc:`buck6d/coul/gauss/long <pair_buck6d_coul_gauss>` - dispersion-damped Buckingham with long-range Coulombics * :doc:`buck6d/coul/gauss/long <pair_buck6d_coul_gauss>` - dispersion-damped Buckingham with long-range Coulomb * :doc:`colloid <pair_colloid>` - integrated colloidal potential * :doc:`colloid <pair_colloid>` - integrated colloidal potential * :doc:`comb <pair_comb>` - charge-optimized many-body (COMB) potential * :doc:`comb <pair_comb>` - charge-optimized many-body (COMB) potential * :doc:`comb3 <pair_comb>` - charge-optimized many-body (COMB3) potential * :doc:`comb3 <pair_comb>` - charge-optimized many-body (COMB3) potential * :doc:`cosine/squared <pair_cosine_squared>` - Cooke-Kremer-Deserno membrane model potential * :doc:`cosine/squared <pair_cosine_squared>` - Cooke-Kremer-Deserno membrane model potential * :doc:`coul/cut <pair_coul>` - cutoff Coulombic potential * :doc:`coul/cut <pair_coul>` - cutoff Coulomb potential * :doc:`coul/cut/soft <pair_fep_soft>` - Coulombic potential with a soft core * :doc:`coul/cut/soft <pair_fep_soft>` - Coulomb potential with a soft core * :doc:`coul/debye <pair_coul>` - cutoff Coulombic potential with Debye screening * :doc:`coul/debye <pair_coul>` - cutoff Coulomb potential with Debye screening * :doc:`coul/diel <pair_coul_diel>` - Coulomb potential with dielectric permittivity * :doc:`coul/diel <pair_coul_diel>` - Coulomb potential with dielectric permittivity * :doc:`coul/dsf <pair_coul>` - Coulombics with damped-shifted-force model * :doc:`coul/dsf <pair_coul>` - Coulomb with damped-shifted-force model * :doc:`coul/long <pair_coul>` - long-range Coulombic potential * :doc:`coul/long <pair_coul>` - long-range Coulomb potential * :doc:`coul/long/cs <pair_cs>` - long-range Coulombic potential and core/shell * :doc:`coul/long/cs <pair_cs>` - long-range Coulomb potential and core/shell * :doc:`coul/long/soft <pair_fep_soft>` - long-range Coulombic potential with a soft core * :doc:`coul/long/soft <pair_fep_soft>` - long-range Coulomb potential with a soft core * :doc:`coul/msm <pair_coul>` - long-range MSM Coulombics * :doc:`coul/msm <pair_coul>` - long-range MSM Coulomb * :doc:`coul/slater/cut <pair_coul>` - smeared out Coulombics * :doc:`coul/slater/cut <pair_coul>` - smeared out Coulomb * :doc:`coul/slater/long <pair_coul>` - long-range smeared out Coulombics * :doc:`coul/slater/long <pair_coul>` - long-range smeared out Coulomb * :doc:`coul/shield <pair_coul_shield>` - Coulombics for boron nitride for use with :doc:`ilp/graphene/hbn <pair_ilp_graphene_hbn>` potential * :doc:`coul/shield <pair_coul_shield>` - Coulomb for boron nitride for use with :doc:`ilp/graphene/hbn <pair_ilp_graphene_hbn>` potential * :doc:`coul/streitz <pair_coul>` - Coulombics via Streitz/Mintmire Slater orbitals * :doc:`coul/streitz <pair_coul>` - Coulomb via Streitz/Mintmire Slater orbitals * :doc:`coul/wolf <pair_coul>` - Coulombics via Wolf potential * :doc:`coul/wolf <pair_coul>` - Coulomb via Wolf potential * :doc:`coul/wolf/cs <pair_cs>` - ditto with core/shell adjustments * :doc:`coul/wolf/cs <pair_cs>` - Coulomb via Wolf potential with core/shell adjustments * :doc:`dpd <pair_dpd>` - dissipative particle dynamics (DPD) * :doc:`dpd <pair_dpd>` - dissipative particle dynamics (DPD) * :doc:`dpd/fdt <pair_dpd_fdt>` - DPD for constant temperature and pressure * :doc:`dpd/fdt <pair_dpd_fdt>` - DPD for constant temperature and pressure * :doc:`dpd/fdt/energy <pair_dpd_fdt>` - DPD for constant energy and enthalpy * :doc:`dpd/fdt/energy <pair_dpd_fdt>` - DPD for constant energy and enthalpy Loading Loading @@ -189,44 +189,45 @@ accelerated styles exist. * :doc:`lj/charmm/coul/charmm/implicit <pair_charmm>` - CHARMM for implicit solvent * :doc:`lj/charmm/coul/charmm/implicit <pair_charmm>` - CHARMM for implicit solvent * :doc:`lj/charmm/coul/long <pair_charmm>` - CHARMM with long-range Coulomb * :doc:`lj/charmm/coul/long <pair_charmm>` - CHARMM with long-range Coulomb * :doc:`lj/charmm/coul/long/soft <pair_fep_soft>` - CHARMM with long-range Coulomb and a soft core * :doc:`lj/charmm/coul/long/soft <pair_fep_soft>` - CHARMM with long-range Coulomb and a soft core * :doc:`lj/charmm/coul/msm <pair_charmm>` - CHARMM with long-range MSM Coulombics * :doc:`lj/charmm/coul/msm <pair_charmm>` - CHARMM with long-range MSM Coulomb * :doc:`lj/charmmfsw/coul/charmmfsh <pair_charmm>` - CHARMM with force switching and shifting * :doc:`lj/charmmfsw/coul/charmmfsh <pair_charmm>` - CHARMM with force switching and shifting * :doc:`lj/charmmfsw/coul/long <pair_charmm>` - CHARMM with force switching and long-rnage Coulombics * :doc:`lj/charmmfsw/coul/long <pair_charmm>` - CHARMM with force switching and long-rnage Coulomb * :doc:`lj/class2 <pair_class2>` - COMPASS (class 2) force field with no Coulomb * :doc:`lj/class2 <pair_class2>` - COMPASS (class 2) force field without Coulomb * :doc:`lj/class2/coul/cut <pair_class2>` - COMPASS with cutoff Coulomb * :doc:`lj/class2/coul/cut <pair_class2>` - COMPASS with cutoff Coulomb * :doc:`lj/class2/coul/cut/soft <pair_fep_soft>` - COMPASS with cutoff Coulomb with a soft core * :doc:`lj/class2/coul/cut/soft <pair_fep_soft>` - COMPASS with cutoff Coulomb with a soft core * :doc:`lj/class2/coul/long <pair_class2>` - COMPASS with long-range Coulomb * :doc:`lj/class2/coul/long <pair_class2>` - COMPASS with long-range Coulomb * :doc:`lj/class2/coul/long/cs <pair_cs>` - COMPASS with long-range Coulomb with core/shell adjustments * :doc:`lj/class2/coul/long/soft <pair_fep_soft>` - COMPASS with long-range Coulomb with a soft core * :doc:`lj/class2/coul/long/soft <pair_fep_soft>` - COMPASS with long-range Coulomb with a soft core * :doc:`lj/class2/soft <pair_fep_soft>` - COMPASS (class 2) force field with no Coulomb with a soft core * :doc:`lj/class2/soft <pair_fep_soft>` - COMPASS (class 2) force field with no Coulomb with a soft core * :doc:`lj/cubic <pair_lj_cubic>` - LJ with cubic after inflection point * :doc:`lj/cubic <pair_lj_cubic>` - LJ with cubic after inflection point * :doc:`lj/cut <pair_lj>` - cutoff Lennard-Jones potential with no Coulomb * :doc:`lj/cut <pair_lj>` - cutoff Lennard-Jones potential without Coulomb * :doc:`lj/cut/coul/cut <pair_lj>` - LJ with cutoff Coulomb * :doc:`lj/cut/coul/cut <pair_lj>` - LJ with cutoff Coulomb * :doc:`lj/cut/coul/cut/soft <pair_fep_soft>` - LJ with cutoff Coulomb with a soft core * :doc:`lj/cut/coul/cut/soft <pair_fep_soft>` - LJ with cutoff Coulomb with a soft core * :doc:`lj/cut/coul/debye <pair_lj>` - LJ with Debye screening added to Coulomb * :doc:`lj/cut/coul/debye <pair_lj>` - LJ with Debye screening added to Coulomb * :doc:`lj/cut/coul/dsf <pair_lj>` - LJ with Coulombics via damped shifted forces * :doc:`lj/cut/coul/dsf <pair_lj>` - LJ with Coulomb via damped shifted forces * :doc:`lj/cut/coul/long <pair_lj>` - LJ with long-range Coulombics * :doc:`lj/cut/coul/long <pair_lj>` - LJ with long-range Coulomb * :doc:`lj/cut/coul/long/cs <pair_cs>` - ditto with core/shell adjustments * :doc:`lj/cut/coul/long/cs <pair_cs>` - LJ with long-range Coulomb with core/shell adjustments * :doc:`lj/cut/coul/long/soft <pair_fep_soft>` - LJ with long-range Coulombics with a soft core * :doc:`lj/cut/coul/long/soft <pair_fep_soft>` - LJ with long-range Coulomb with a soft core * :doc:`lj/cut/coul/msm <pair_lj>` - LJ with long-range MSM Coulombics * :doc:`lj/cut/coul/msm <pair_lj>` - LJ with long-range MSM Coulomb * :doc:`lj/cut/coul/wolf <pair_lj>` - LJ with Coulombics via Wolf potential * :doc:`lj/cut/coul/wolf <pair_lj>` - LJ with Coulomb via Wolf potential * :doc:`lj/cut/dipole/cut <pair_dipole>` - point dipoles with cutoff * :doc:`lj/cut/dipole/cut <pair_dipole>` - point dipoles with cutoff * :doc:`lj/cut/dipole/long <pair_dipole>` - point dipoles with long-range Ewald * :doc:`lj/cut/dipole/long <pair_dipole>` - point dipoles with long-range Ewald * :doc:`lj/cut/soft <pair_fep_soft>` - LJ with a soft core * :doc:`lj/cut/soft <pair_fep_soft>` - LJ with a soft core * :doc:`lj/cut/thole/long <pair_thole>` - LJ with Coulombics with thole damping * :doc:`lj/cut/thole/long <pair_thole>` - LJ with Coulomb with thole damping * :doc:`lj/cut/tip4p/cut <pair_lj>` - LJ with cutoff Coulomb for TIP4P water * :doc:`lj/cut/tip4p/cut <pair_lj>` - LJ with cutoff Coulomb for TIP4P water * :doc:`lj/cut/tip4p/long <pair_lj>` - LJ with long-range Coulomb for TIP4P water * :doc:`lj/cut/tip4p/long <pair_lj>` - LJ with long-range Coulomb for TIP4P water * :doc:`lj/cut/tip4p/long/soft <pair_fep_soft>` - LJ with cutoff Coulomb for TIP4P water with a soft core * :doc:`lj/cut/tip4p/long/soft <pair_fep_soft>` - LJ with cutoff Coulomb for TIP4P water with a soft core * :doc:`lj/expand <pair_lj_expand>` - Lennard-Jones for variable size particles * :doc:`lj/expand <pair_lj_expand>` - Lennard-Jones for variable size particles * :doc:`lj/expand/coul/long <pair_lj_expand>` - Lennard-Jones for variable size particles with long-range Coulombics * :doc:`lj/expand/coul/long <pair_lj_expand>` - Lennard-Jones for variable size particles with long-range Coulomb * :doc:`lj/gromacs <pair_gromacs>` - GROMACS-style Lennard-Jones potential * :doc:`lj/gromacs <pair_gromacs>` - GROMACS-style Lennard-Jones potential * :doc:`lj/gromacs/coul/gromacs <pair_gromacs>` - GROMACS-style LJ and Coulombic potential * :doc:`lj/gromacs/coul/gromacs <pair_gromacs>` - GROMACS-style LJ and Coulomb potential * :doc:`lj/long/coul/long <pair_lj_long>` - long-range LJ and long-range Coulombics * :doc:`lj/long/coul/long <pair_lj_long>` - long-range LJ and long-range Coulomb * :doc:`lj/long/dipole/long <pair_dipole>` - long-range LJ and long-range point dipoles * :doc:`lj/long/dipole/long <pair_dipole>` - long-range LJ and long-range point dipoles * :doc:`lj/long/tip4p/long <pair_lj_long>` - long-range LJ and long-range Coulombics for TIP4P water * :doc:`lj/long/tip4p/long <pair_lj_long>` - long-range LJ and long-range Coulomb for TIP4P water * :doc:`lj/mdf <pair_mdf>` - LJ potential with a taper function * :doc:`lj/mdf <pair_mdf>` - LJ potential with a taper function * :doc:`lj/sdk <pair_sdk>` - LJ for SDK coarse-graining * :doc:`lj/sdk <pair_sdk>` - LJ for SDK coarse-graining * :doc:`lj/sdk/coul/long <pair_sdk>` - LJ for SDK coarse-graining with long-range Coulombics * :doc:`lj/sdk/coul/long <pair_sdk>` - LJ for SDK coarse-graining with long-range Coulomb * :doc:`lj/sdk/coul/msm <pair_sdk>` - LJ for SDK coarse-graining with long-range Coulombics via MSM * :doc:`lj/sdk/coul/msm <pair_sdk>` - LJ for SDK coarse-graining with long-range Coulomb via MSM * :doc:`lj/sf/dipole/sf <pair_dipole>` - LJ with dipole interaction with shifted forces * :doc:`lj/sf/dipole/sf <pair_dipole>` - LJ with dipole interaction with shifted forces * :doc:`lj/smooth <pair_lj_smooth>` - smoothed Lennard-Jones potential * :doc:`lj/smooth <pair_lj_smooth>` - smoothed Lennard-Jones potential * :doc:`lj/smooth/linear <pair_lj_smooth_linear>` - linear smoothed LJ potential * :doc:`lj/smooth/linear <pair_lj_smooth_linear>` - linear smoothed LJ potential Loading Loading @@ -255,7 +256,7 @@ accelerated styles exist. * :doc:`nb3b/harmonic <pair_nb3b_harmonic>` - non-bonded 3-body harmonic potential * :doc:`nb3b/harmonic <pair_nb3b_harmonic>` - non-bonded 3-body harmonic potential * :doc:`nm/cut <pair_nm>` - N-M potential * :doc:`nm/cut <pair_nm>` - N-M potential * :doc:`nm/cut/coul/cut <pair_nm>` - N-M potential with cutoff Coulomb * :doc:`nm/cut/coul/cut <pair_nm>` - N-M potential with cutoff Coulomb * :doc:`nm/cut/coul/long <pair_nm>` - N-M potential with long-range Coulombics * :doc:`nm/cut/coul/long <pair_nm>` - N-M potential with long-range Coulomb * :doc:`oxdna/coaxstk <pair_oxdna>` - * :doc:`oxdna/coaxstk <pair_oxdna>` - * :doc:`oxdna/excv <pair_oxdna>` - * :doc:`oxdna/excv <pair_oxdna>` - * :doc:`oxdna/hbond <pair_oxdna>` - * :doc:`oxdna/hbond <pair_oxdna>` - Loading Loading @@ -315,7 +316,7 @@ accelerated styles exist. * :doc:`tersoff/zbl <pair_tersoff_zbl>` - Tersoff/ZBL 3-body potential * :doc:`tersoff/zbl <pair_tersoff_zbl>` - Tersoff/ZBL 3-body potential * :doc:`thole <pair_thole>` - Coulomb interactions with thole damping * :doc:`thole <pair_thole>` - Coulomb interactions with thole damping * :doc:`tip4p/cut <pair_coul>` - Coulomb for TIP4P water w/out LJ * :doc:`tip4p/cut <pair_coul>` - Coulomb for TIP4P water w/out LJ * :doc:`tip4p/long <pair_coul>` - long-range Coulombics for TIP4P water w/out LJ * :doc:`tip4p/long <pair_coul>` - long-range Coulomb for TIP4P water w/out LJ * :doc:`tip4p/long/soft <pair_fep_soft>` - * :doc:`tip4p/long/soft <pair_fep_soft>` - * :doc:`tri/lj <pair_tri_lj>` - LJ potential between triangles * :doc:`tri/lj <pair_tri_lj>` - LJ potential between triangles * :doc:`ufm <pair_ufm>` - * :doc:`ufm <pair_ufm>` - Loading Loading
doc/src/Commands_pair.rst +1 −0 Original line number Original line Diff line number Diff line Loading @@ -131,6 +131,7 @@ OPT. * :doc:`lj/class2/coul/cut (ko) <pair_class2>` * :doc:`lj/class2/coul/cut (ko) <pair_class2>` * :doc:`lj/class2/coul/cut/soft <pair_fep_soft>` * :doc:`lj/class2/coul/cut/soft <pair_fep_soft>` * :doc:`lj/class2/coul/long (gko) <pair_class2>` * :doc:`lj/class2/coul/long (gko) <pair_class2>` * :doc:`lj/class2/coul/long/cs <pair_cs>` * :doc:`lj/class2/coul/long/soft <pair_fep_soft>` * :doc:`lj/class2/coul/long/soft <pair_fep_soft>` * :doc:`lj/class2/soft <pair_fep_soft>` * :doc:`lj/class2/soft <pair_fep_soft>` * :doc:`lj/cubic (go) <pair_lj_cubic>` * :doc:`lj/cubic (go) <pair_lj_cubic>` Loading
doc/src/pair_style.rst +44 −43 Original line number Original line Diff line number Diff line Loading @@ -111,41 +111,41 @@ accelerated styles exist. * :doc:`born <pair_born>` - Born-Mayer-Huggins potential * :doc:`born <pair_born>` - Born-Mayer-Huggins potential * :doc:`born/coul/dsf <pair_born>` - Born with damped-shifted-force model * :doc:`born/coul/dsf <pair_born>` - Born with damped-shifted-force model * :doc:`born/coul/dsf/cs <pair_cs>` - Born with damped-shifted-force and core/shell model * :doc:`born/coul/dsf/cs <pair_cs>` - Born with damped-shifted-force and core/shell model * :doc:`born/coul/long <pair_born>` - Born with long-range Coulombics * :doc:`born/coul/long <pair_born>` - Born with long-range Coulomb * :doc:`born/coul/long/cs <pair_cs>` - Born with long-range Coulombics and core/shell * :doc:`born/coul/long/cs <pair_cs>` - Born with long-range Coulomb and core/shell * :doc:`born/coul/msm <pair_born>` - Born with long-range MSM Coulombics * :doc:`born/coul/msm <pair_born>` - Born with long-range MSM Coulomb * :doc:`born/coul/wolf <pair_born>` - Born with Wolf potential for Coulombics * :doc:`born/coul/wolf <pair_born>` - Born with Wolf potential for Coulomb * :doc:`born/coul/wolf/cs <pair_cs>` - Born with Wolf potential for Coulombics and core/shell model * :doc:`born/coul/wolf/cs <pair_cs>` - Born with Wolf potential for Coulomb and core/shell model * :doc:`brownian <pair_brownian>` - Brownian potential for Fast Lubrication Dynamics * :doc:`brownian <pair_brownian>` - Brownian potential for Fast Lubrication Dynamics * :doc:`brownian/poly <pair_brownian>` - Brownian potential for Fast Lubrication Dynamics with polydispersity * :doc:`brownian/poly <pair_brownian>` - Brownian potential for Fast Lubrication Dynamics with polydispersity * :doc:`buck <pair_buck>` - Buckingham potential * :doc:`buck <pair_buck>` - Buckingham potential * :doc:`buck/coul/cut <pair_buck>` - Buckingham with cutoff Coulomb * :doc:`buck/coul/cut <pair_buck>` - Buckingham with cutoff Coulomb * :doc:`buck/coul/long <pair_buck>` - Buckingham with long-range Coulombics * :doc:`buck/coul/long <pair_buck>` - Buckingham with long-range Coulomb * :doc:`buck/coul/long/cs <pair_cs>` - Buckingham with long-range Coulombics and core/shell * :doc:`buck/coul/long/cs <pair_cs>` - Buckingham with long-range Coulomb and core/shell * :doc:`buck/coul/msm <pair_buck>` - Buckingham with long-range MSM Coulombics * :doc:`buck/coul/msm <pair_buck>` - Buckingham with long-range MSM Coulomb * :doc:`buck/long/coul/long <pair_buck_long>` - long-range Buckingham with long-range Coulombics * :doc:`buck/long/coul/long <pair_buck_long>` - long-range Buckingham with long-range Coulomb * :doc:`buck/mdf <pair_mdf>` - Buckingham with a taper function * :doc:`buck/mdf <pair_mdf>` - Buckingham with a taper function * :doc:`buck6d/coul/gauss/dsf <pair_buck6d_coul_gauss>` - dispersion-damped Buckingham with damped-shift-force model * :doc:`buck6d/coul/gauss/dsf <pair_buck6d_coul_gauss>` - dispersion-damped Buckingham with damped-shift-force model * :doc:`buck6d/coul/gauss/long <pair_buck6d_coul_gauss>` - dispersion-damped Buckingham with long-range Coulombics * :doc:`buck6d/coul/gauss/long <pair_buck6d_coul_gauss>` - dispersion-damped Buckingham with long-range Coulomb * :doc:`colloid <pair_colloid>` - integrated colloidal potential * :doc:`colloid <pair_colloid>` - integrated colloidal potential * :doc:`comb <pair_comb>` - charge-optimized many-body (COMB) potential * :doc:`comb <pair_comb>` - charge-optimized many-body (COMB) potential * :doc:`comb3 <pair_comb>` - charge-optimized many-body (COMB3) potential * :doc:`comb3 <pair_comb>` - charge-optimized many-body (COMB3) potential * :doc:`cosine/squared <pair_cosine_squared>` - Cooke-Kremer-Deserno membrane model potential * :doc:`cosine/squared <pair_cosine_squared>` - Cooke-Kremer-Deserno membrane model potential * :doc:`coul/cut <pair_coul>` - cutoff Coulombic potential * :doc:`coul/cut <pair_coul>` - cutoff Coulomb potential * :doc:`coul/cut/soft <pair_fep_soft>` - Coulombic potential with a soft core * :doc:`coul/cut/soft <pair_fep_soft>` - Coulomb potential with a soft core * :doc:`coul/debye <pair_coul>` - cutoff Coulombic potential with Debye screening * :doc:`coul/debye <pair_coul>` - cutoff Coulomb potential with Debye screening * :doc:`coul/diel <pair_coul_diel>` - Coulomb potential with dielectric permittivity * :doc:`coul/diel <pair_coul_diel>` - Coulomb potential with dielectric permittivity * :doc:`coul/dsf <pair_coul>` - Coulombics with damped-shifted-force model * :doc:`coul/dsf <pair_coul>` - Coulomb with damped-shifted-force model * :doc:`coul/long <pair_coul>` - long-range Coulombic potential * :doc:`coul/long <pair_coul>` - long-range Coulomb potential * :doc:`coul/long/cs <pair_cs>` - long-range Coulombic potential and core/shell * :doc:`coul/long/cs <pair_cs>` - long-range Coulomb potential and core/shell * :doc:`coul/long/soft <pair_fep_soft>` - long-range Coulombic potential with a soft core * :doc:`coul/long/soft <pair_fep_soft>` - long-range Coulomb potential with a soft core * :doc:`coul/msm <pair_coul>` - long-range MSM Coulombics * :doc:`coul/msm <pair_coul>` - long-range MSM Coulomb * :doc:`coul/slater/cut <pair_coul>` - smeared out Coulombics * :doc:`coul/slater/cut <pair_coul>` - smeared out Coulomb * :doc:`coul/slater/long <pair_coul>` - long-range smeared out Coulombics * :doc:`coul/slater/long <pair_coul>` - long-range smeared out Coulomb * :doc:`coul/shield <pair_coul_shield>` - Coulombics for boron nitride for use with :doc:`ilp/graphene/hbn <pair_ilp_graphene_hbn>` potential * :doc:`coul/shield <pair_coul_shield>` - Coulomb for boron nitride for use with :doc:`ilp/graphene/hbn <pair_ilp_graphene_hbn>` potential * :doc:`coul/streitz <pair_coul>` - Coulombics via Streitz/Mintmire Slater orbitals * :doc:`coul/streitz <pair_coul>` - Coulomb via Streitz/Mintmire Slater orbitals * :doc:`coul/wolf <pair_coul>` - Coulombics via Wolf potential * :doc:`coul/wolf <pair_coul>` - Coulomb via Wolf potential * :doc:`coul/wolf/cs <pair_cs>` - ditto with core/shell adjustments * :doc:`coul/wolf/cs <pair_cs>` - Coulomb via Wolf potential with core/shell adjustments * :doc:`dpd <pair_dpd>` - dissipative particle dynamics (DPD) * :doc:`dpd <pair_dpd>` - dissipative particle dynamics (DPD) * :doc:`dpd/fdt <pair_dpd_fdt>` - DPD for constant temperature and pressure * :doc:`dpd/fdt <pair_dpd_fdt>` - DPD for constant temperature and pressure * :doc:`dpd/fdt/energy <pair_dpd_fdt>` - DPD for constant energy and enthalpy * :doc:`dpd/fdt/energy <pair_dpd_fdt>` - DPD for constant energy and enthalpy Loading Loading @@ -189,44 +189,45 @@ accelerated styles exist. * :doc:`lj/charmm/coul/charmm/implicit <pair_charmm>` - CHARMM for implicit solvent * :doc:`lj/charmm/coul/charmm/implicit <pair_charmm>` - CHARMM for implicit solvent * :doc:`lj/charmm/coul/long <pair_charmm>` - CHARMM with long-range Coulomb * :doc:`lj/charmm/coul/long <pair_charmm>` - CHARMM with long-range Coulomb * :doc:`lj/charmm/coul/long/soft <pair_fep_soft>` - CHARMM with long-range Coulomb and a soft core * :doc:`lj/charmm/coul/long/soft <pair_fep_soft>` - CHARMM with long-range Coulomb and a soft core * :doc:`lj/charmm/coul/msm <pair_charmm>` - CHARMM with long-range MSM Coulombics * :doc:`lj/charmm/coul/msm <pair_charmm>` - CHARMM with long-range MSM Coulomb * :doc:`lj/charmmfsw/coul/charmmfsh <pair_charmm>` - CHARMM with force switching and shifting * :doc:`lj/charmmfsw/coul/charmmfsh <pair_charmm>` - CHARMM with force switching and shifting * :doc:`lj/charmmfsw/coul/long <pair_charmm>` - CHARMM with force switching and long-rnage Coulombics * :doc:`lj/charmmfsw/coul/long <pair_charmm>` - CHARMM with force switching and long-rnage Coulomb * :doc:`lj/class2 <pair_class2>` - COMPASS (class 2) force field with no Coulomb * :doc:`lj/class2 <pair_class2>` - COMPASS (class 2) force field without Coulomb * :doc:`lj/class2/coul/cut <pair_class2>` - COMPASS with cutoff Coulomb * :doc:`lj/class2/coul/cut <pair_class2>` - COMPASS with cutoff Coulomb * :doc:`lj/class2/coul/cut/soft <pair_fep_soft>` - COMPASS with cutoff Coulomb with a soft core * :doc:`lj/class2/coul/cut/soft <pair_fep_soft>` - COMPASS with cutoff Coulomb with a soft core * :doc:`lj/class2/coul/long <pair_class2>` - COMPASS with long-range Coulomb * :doc:`lj/class2/coul/long <pair_class2>` - COMPASS with long-range Coulomb * :doc:`lj/class2/coul/long/cs <pair_cs>` - COMPASS with long-range Coulomb with core/shell adjustments * :doc:`lj/class2/coul/long/soft <pair_fep_soft>` - COMPASS with long-range Coulomb with a soft core * :doc:`lj/class2/coul/long/soft <pair_fep_soft>` - COMPASS with long-range Coulomb with a soft core * :doc:`lj/class2/soft <pair_fep_soft>` - COMPASS (class 2) force field with no Coulomb with a soft core * :doc:`lj/class2/soft <pair_fep_soft>` - COMPASS (class 2) force field with no Coulomb with a soft core * :doc:`lj/cubic <pair_lj_cubic>` - LJ with cubic after inflection point * :doc:`lj/cubic <pair_lj_cubic>` - LJ with cubic after inflection point * :doc:`lj/cut <pair_lj>` - cutoff Lennard-Jones potential with no Coulomb * :doc:`lj/cut <pair_lj>` - cutoff Lennard-Jones potential without Coulomb * :doc:`lj/cut/coul/cut <pair_lj>` - LJ with cutoff Coulomb * :doc:`lj/cut/coul/cut <pair_lj>` - LJ with cutoff Coulomb * :doc:`lj/cut/coul/cut/soft <pair_fep_soft>` - LJ with cutoff Coulomb with a soft core * :doc:`lj/cut/coul/cut/soft <pair_fep_soft>` - LJ with cutoff Coulomb with a soft core * :doc:`lj/cut/coul/debye <pair_lj>` - LJ with Debye screening added to Coulomb * :doc:`lj/cut/coul/debye <pair_lj>` - LJ with Debye screening added to Coulomb * :doc:`lj/cut/coul/dsf <pair_lj>` - LJ with Coulombics via damped shifted forces * :doc:`lj/cut/coul/dsf <pair_lj>` - LJ with Coulomb via damped shifted forces * :doc:`lj/cut/coul/long <pair_lj>` - LJ with long-range Coulombics * :doc:`lj/cut/coul/long <pair_lj>` - LJ with long-range Coulomb * :doc:`lj/cut/coul/long/cs <pair_cs>` - ditto with core/shell adjustments * :doc:`lj/cut/coul/long/cs <pair_cs>` - LJ with long-range Coulomb with core/shell adjustments * :doc:`lj/cut/coul/long/soft <pair_fep_soft>` - LJ with long-range Coulombics with a soft core * :doc:`lj/cut/coul/long/soft <pair_fep_soft>` - LJ with long-range Coulomb with a soft core * :doc:`lj/cut/coul/msm <pair_lj>` - LJ with long-range MSM Coulombics * :doc:`lj/cut/coul/msm <pair_lj>` - LJ with long-range MSM Coulomb * :doc:`lj/cut/coul/wolf <pair_lj>` - LJ with Coulombics via Wolf potential * :doc:`lj/cut/coul/wolf <pair_lj>` - LJ with Coulomb via Wolf potential * :doc:`lj/cut/dipole/cut <pair_dipole>` - point dipoles with cutoff * :doc:`lj/cut/dipole/cut <pair_dipole>` - point dipoles with cutoff * :doc:`lj/cut/dipole/long <pair_dipole>` - point dipoles with long-range Ewald * :doc:`lj/cut/dipole/long <pair_dipole>` - point dipoles with long-range Ewald * :doc:`lj/cut/soft <pair_fep_soft>` - LJ with a soft core * :doc:`lj/cut/soft <pair_fep_soft>` - LJ with a soft core * :doc:`lj/cut/thole/long <pair_thole>` - LJ with Coulombics with thole damping * :doc:`lj/cut/thole/long <pair_thole>` - LJ with Coulomb with thole damping * :doc:`lj/cut/tip4p/cut <pair_lj>` - LJ with cutoff Coulomb for TIP4P water * :doc:`lj/cut/tip4p/cut <pair_lj>` - LJ with cutoff Coulomb for TIP4P water * :doc:`lj/cut/tip4p/long <pair_lj>` - LJ with long-range Coulomb for TIP4P water * :doc:`lj/cut/tip4p/long <pair_lj>` - LJ with long-range Coulomb for TIP4P water * :doc:`lj/cut/tip4p/long/soft <pair_fep_soft>` - LJ with cutoff Coulomb for TIP4P water with a soft core * :doc:`lj/cut/tip4p/long/soft <pair_fep_soft>` - LJ with cutoff Coulomb for TIP4P water with a soft core * :doc:`lj/expand <pair_lj_expand>` - Lennard-Jones for variable size particles * :doc:`lj/expand <pair_lj_expand>` - Lennard-Jones for variable size particles * :doc:`lj/expand/coul/long <pair_lj_expand>` - Lennard-Jones for variable size particles with long-range Coulombics * :doc:`lj/expand/coul/long <pair_lj_expand>` - Lennard-Jones for variable size particles with long-range Coulomb * :doc:`lj/gromacs <pair_gromacs>` - GROMACS-style Lennard-Jones potential * :doc:`lj/gromacs <pair_gromacs>` - GROMACS-style Lennard-Jones potential * :doc:`lj/gromacs/coul/gromacs <pair_gromacs>` - GROMACS-style LJ and Coulombic potential * :doc:`lj/gromacs/coul/gromacs <pair_gromacs>` - GROMACS-style LJ and Coulomb potential * :doc:`lj/long/coul/long <pair_lj_long>` - long-range LJ and long-range Coulombics * :doc:`lj/long/coul/long <pair_lj_long>` - long-range LJ and long-range Coulomb * :doc:`lj/long/dipole/long <pair_dipole>` - long-range LJ and long-range point dipoles * :doc:`lj/long/dipole/long <pair_dipole>` - long-range LJ and long-range point dipoles * :doc:`lj/long/tip4p/long <pair_lj_long>` - long-range LJ and long-range Coulombics for TIP4P water * :doc:`lj/long/tip4p/long <pair_lj_long>` - long-range LJ and long-range Coulomb for TIP4P water * :doc:`lj/mdf <pair_mdf>` - LJ potential with a taper function * :doc:`lj/mdf <pair_mdf>` - LJ potential with a taper function * :doc:`lj/sdk <pair_sdk>` - LJ for SDK coarse-graining * :doc:`lj/sdk <pair_sdk>` - LJ for SDK coarse-graining * :doc:`lj/sdk/coul/long <pair_sdk>` - LJ for SDK coarse-graining with long-range Coulombics * :doc:`lj/sdk/coul/long <pair_sdk>` - LJ for SDK coarse-graining with long-range Coulomb * :doc:`lj/sdk/coul/msm <pair_sdk>` - LJ for SDK coarse-graining with long-range Coulombics via MSM * :doc:`lj/sdk/coul/msm <pair_sdk>` - LJ for SDK coarse-graining with long-range Coulomb via MSM * :doc:`lj/sf/dipole/sf <pair_dipole>` - LJ with dipole interaction with shifted forces * :doc:`lj/sf/dipole/sf <pair_dipole>` - LJ with dipole interaction with shifted forces * :doc:`lj/smooth <pair_lj_smooth>` - smoothed Lennard-Jones potential * :doc:`lj/smooth <pair_lj_smooth>` - smoothed Lennard-Jones potential * :doc:`lj/smooth/linear <pair_lj_smooth_linear>` - linear smoothed LJ potential * :doc:`lj/smooth/linear <pair_lj_smooth_linear>` - linear smoothed LJ potential Loading Loading @@ -255,7 +256,7 @@ accelerated styles exist. * :doc:`nb3b/harmonic <pair_nb3b_harmonic>` - non-bonded 3-body harmonic potential * :doc:`nb3b/harmonic <pair_nb3b_harmonic>` - non-bonded 3-body harmonic potential * :doc:`nm/cut <pair_nm>` - N-M potential * :doc:`nm/cut <pair_nm>` - N-M potential * :doc:`nm/cut/coul/cut <pair_nm>` - N-M potential with cutoff Coulomb * :doc:`nm/cut/coul/cut <pair_nm>` - N-M potential with cutoff Coulomb * :doc:`nm/cut/coul/long <pair_nm>` - N-M potential with long-range Coulombics * :doc:`nm/cut/coul/long <pair_nm>` - N-M potential with long-range Coulomb * :doc:`oxdna/coaxstk <pair_oxdna>` - * :doc:`oxdna/coaxstk <pair_oxdna>` - * :doc:`oxdna/excv <pair_oxdna>` - * :doc:`oxdna/excv <pair_oxdna>` - * :doc:`oxdna/hbond <pair_oxdna>` - * :doc:`oxdna/hbond <pair_oxdna>` - Loading Loading @@ -315,7 +316,7 @@ accelerated styles exist. * :doc:`tersoff/zbl <pair_tersoff_zbl>` - Tersoff/ZBL 3-body potential * :doc:`tersoff/zbl <pair_tersoff_zbl>` - Tersoff/ZBL 3-body potential * :doc:`thole <pair_thole>` - Coulomb interactions with thole damping * :doc:`thole <pair_thole>` - Coulomb interactions with thole damping * :doc:`tip4p/cut <pair_coul>` - Coulomb for TIP4P water w/out LJ * :doc:`tip4p/cut <pair_coul>` - Coulomb for TIP4P water w/out LJ * :doc:`tip4p/long <pair_coul>` - long-range Coulombics for TIP4P water w/out LJ * :doc:`tip4p/long <pair_coul>` - long-range Coulomb for TIP4P water w/out LJ * :doc:`tip4p/long/soft <pair_fep_soft>` - * :doc:`tip4p/long/soft <pair_fep_soft>` - * :doc:`tri/lj <pair_tri_lj>` - LJ potential between triangles * :doc:`tri/lj <pair_tri_lj>` - LJ potential between triangles * :doc:`ufm <pair_ufm>` - * :doc:`ufm <pair_ufm>` - Loading
