Loading doc/src/Section_commands.txt +2 −1 Original line number Diff line number Diff line Loading @@ -1024,7 +1024,7 @@ KOKKOS, o = USER-OMP, t = OPT. "tri/lj"_pair_tri_lj.html, "vashishta (ko)"_pair_vashishta.html, "vashishta/table (o)"_pair_vashishta.html, "yukawa (go)"_pair_yukawa.html, "yukawa (gok)"_pair_yukawa.html, "yukawa/colloid (go)"_pair_yukawa_colloid.html, "zbl (go)"_pair_zbl.html :tb(c=4,ea=c) Loading @@ -1046,6 +1046,7 @@ package"_Section_start.html#start_3. "edpd"_pair_meso.html, "eff/cut"_pair_eff.html, "exp6/rx"_pair_exp6_rx.html, "extep"_pair_extep.html, "gauss/cut"_pair_gauss.html, "kolmogorov/crespi/z"_pair_kolmogorov_crespi_z.html, "lennard/mdf"_pair_mdf.html, Loading doc/src/create_atoms.txt +11 −11 Original line number Diff line number Diff line Loading @@ -36,9 +36,9 @@ keyword = {mol} or {basis} or {remap} or {var} or {set} or {units} :l {set} values = dim name dim = {x} or {y} or {z} name = name of variable to set with x, y, or z atom position {rotate} values = Rx Ry Rz theta Rx,Ry,Rz = rotation vector for single molecule {rotate} values = theta Rx Ry Rz theta = rotation angle for single molecule (degrees) Rx,Ry,Rz = rotation vector for single molecule {units} value = {lattice} or {box} {lattice} = the geometry is defined in lattice units {box} = the geometry is defined in simulation box units :pre Loading Loading @@ -242,15 +242,15 @@ write_dump all atom sinusoid.lammpstrj :pre :c,image(JPG/sinusoid_small.jpg,JPG/sinusoid.jpg) The {rotate} keyword can be used with the {single} style, when adding a single molecule to specify the orientation at which the molecule is inserted. The axis of rotation is determined by the rotation vector (Rx,Ry,Rz) that goes through the insertion point. The specified {theta} determines the angle of rotation around that axis. Note that the direction of rotation for the atoms around the rotation axis is consistent with the right-hand rule: if your right-hand's thumb points along {R}, then your fingers wrap around the axis in the direction of rotation. The {rotate} keyword can only be used with the {single} style and when adding a single molecule. It allows to specify the orientation at which the molecule is inserted. The axis of rotation is determined by the rotation vector (Rx,Ry,Rz) that goes through the insertion point. The specified {theta} determines the angle of rotation around that axis. Note that the direction of rotation for the atoms around the rotation axis is consistent with the right-hand rule: if your right-hand's thumb points along {R}, then your fingers wrap around the axis in the direction of rotation. The {units} keyword determines the meaning of the distance units used to specify the coordinates of the one particle created by the {single} Loading doc/src/create_bonds.txt +1 −1 Original line number Diff line number Diff line Loading @@ -18,7 +18,7 @@ style = {many} or {single/bond} or {single/angle} or {single/dihedral} :ule,l group2-ID = ID of second group, bonds will be between atoms in the 2 groups btype = bond type of created bonds rmin = minimum distance between pair of atoms to bond together rmax = minimum distance between pair of atoms to bond together rmax = maximum distance between pair of atoms to bond together {single/bond} args = btype batom1 batom2 btype = bond type of new bond batom1,batom2 = atom IDs for two atoms in bond Loading doc/src/lammps.book +1 −0 Original line number Diff line number Diff line Loading @@ -445,6 +445,7 @@ pair_edip.html pair_eff.html pair_eim.html pair_exp6_rx.html pair_extep.html pair_gauss.html pair_gayberne.html pair_gran.html Loading doc/src/pair_extep.txt 0 → 100644 +40 −0 Original line number Diff line number Diff line "LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :line pair_style extep command :h3 [Syntax:] pair_style extep :pre [Examples:] pair_style extep pair_coeff * * BN.extep B N :pre [Description:] Style {extep} computes the Extended Tersoff Potential (ExTeP) interactions as described in "(Los2017)"_#Los2017. :line [Restrictions:] none [Related commands:] "pair_tersoff" pair_tersoff.html [Default:] none :line :link(Los2017) [(Los2017)] J. H. Los et al. "Extended Tersoff potential for boron nitride: Energetics and elastic properties of pristine and defective h-BN", Phys. Rev. B 96 (184108), 2017. Loading
doc/src/Section_commands.txt +2 −1 Original line number Diff line number Diff line Loading @@ -1024,7 +1024,7 @@ KOKKOS, o = USER-OMP, t = OPT. "tri/lj"_pair_tri_lj.html, "vashishta (ko)"_pair_vashishta.html, "vashishta/table (o)"_pair_vashishta.html, "yukawa (go)"_pair_yukawa.html, "yukawa (gok)"_pair_yukawa.html, "yukawa/colloid (go)"_pair_yukawa_colloid.html, "zbl (go)"_pair_zbl.html :tb(c=4,ea=c) Loading @@ -1046,6 +1046,7 @@ package"_Section_start.html#start_3. "edpd"_pair_meso.html, "eff/cut"_pair_eff.html, "exp6/rx"_pair_exp6_rx.html, "extep"_pair_extep.html, "gauss/cut"_pair_gauss.html, "kolmogorov/crespi/z"_pair_kolmogorov_crespi_z.html, "lennard/mdf"_pair_mdf.html, Loading
doc/src/create_atoms.txt +11 −11 Original line number Diff line number Diff line Loading @@ -36,9 +36,9 @@ keyword = {mol} or {basis} or {remap} or {var} or {set} or {units} :l {set} values = dim name dim = {x} or {y} or {z} name = name of variable to set with x, y, or z atom position {rotate} values = Rx Ry Rz theta Rx,Ry,Rz = rotation vector for single molecule {rotate} values = theta Rx Ry Rz theta = rotation angle for single molecule (degrees) Rx,Ry,Rz = rotation vector for single molecule {units} value = {lattice} or {box} {lattice} = the geometry is defined in lattice units {box} = the geometry is defined in simulation box units :pre Loading Loading @@ -242,15 +242,15 @@ write_dump all atom sinusoid.lammpstrj :pre :c,image(JPG/sinusoid_small.jpg,JPG/sinusoid.jpg) The {rotate} keyword can be used with the {single} style, when adding a single molecule to specify the orientation at which the molecule is inserted. The axis of rotation is determined by the rotation vector (Rx,Ry,Rz) that goes through the insertion point. The specified {theta} determines the angle of rotation around that axis. Note that the direction of rotation for the atoms around the rotation axis is consistent with the right-hand rule: if your right-hand's thumb points along {R}, then your fingers wrap around the axis in the direction of rotation. The {rotate} keyword can only be used with the {single} style and when adding a single molecule. It allows to specify the orientation at which the molecule is inserted. The axis of rotation is determined by the rotation vector (Rx,Ry,Rz) that goes through the insertion point. The specified {theta} determines the angle of rotation around that axis. Note that the direction of rotation for the atoms around the rotation axis is consistent with the right-hand rule: if your right-hand's thumb points along {R}, then your fingers wrap around the axis in the direction of rotation. The {units} keyword determines the meaning of the distance units used to specify the coordinates of the one particle created by the {single} Loading
doc/src/create_bonds.txt +1 −1 Original line number Diff line number Diff line Loading @@ -18,7 +18,7 @@ style = {many} or {single/bond} or {single/angle} or {single/dihedral} :ule,l group2-ID = ID of second group, bonds will be between atoms in the 2 groups btype = bond type of created bonds rmin = minimum distance between pair of atoms to bond together rmax = minimum distance between pair of atoms to bond together rmax = maximum distance between pair of atoms to bond together {single/bond} args = btype batom1 batom2 btype = bond type of new bond batom1,batom2 = atom IDs for two atoms in bond Loading
doc/src/lammps.book +1 −0 Original line number Diff line number Diff line Loading @@ -445,6 +445,7 @@ pair_edip.html pair_eff.html pair_eim.html pair_exp6_rx.html pair_extep.html pair_gauss.html pair_gayberne.html pair_gran.html Loading
doc/src/pair_extep.txt 0 → 100644 +40 −0 Original line number Diff line number Diff line "LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :line pair_style extep command :h3 [Syntax:] pair_style extep :pre [Examples:] pair_style extep pair_coeff * * BN.extep B N :pre [Description:] Style {extep} computes the Extended Tersoff Potential (ExTeP) interactions as described in "(Los2017)"_#Los2017. :line [Restrictions:] none [Related commands:] "pair_tersoff" pair_tersoff.html [Default:] none :line :link(Los2017) [(Los2017)] J. H. Los et al. "Extended Tersoff potential for boron nitride: Energetics and elastic properties of pristine and defective h-BN", Phys. Rev. B 96 (184108), 2017.
