The angle, bond, full, and molecular styles are part of the MOLECULAR package. The dipole style is part of the "dipole" -package. The ellipsoid, line, and tri styles are part of the -"asphere" package. The peri style is part of the PERI package for +package. The peri style is part of the PERI package for Peridynamics. The electron style is part of the USER-EFF package for electronic force fields. The meso style is part of the USER-SPH package for smoothed particle hydrodyanmics (SPH). diff --git a/doc/atom_style.txt b/doc/atom_style.txt index 5f85786a7a..ee0375927f 100644 --- a/doc/atom_style.txt +++ b/doc/atom_style.txt @@ -136,8 +136,7 @@ This command cannot be used after the simulation box is defined by a The {angle}, {bond}, {full}, and {molecular} styles are part of the MOLECULAR package. The {dipole} style is part of the "dipole" -package. The {ellipsoid}, {line}, and {tri} styles are part of the -"asphere" package. The {peri} style is part of the PERI package for +package. The {peri} style is part of the PERI package for Peridynamics. The {electron} style is part of the USER-EFF package for "electronic force fields"_pair_eff.html. The {meso} style is part of the USER-SPH package for smoothed particle hydrodyanmics (SPH). diff --git a/doc/pair_line.html b/doc/pair_line.html deleted file mode 100644 index 205c5f3f91..0000000000 --- a/doc/pair_line.html +++ /dev/null @@ -1,117 +0,0 @@ - -
Syntax: -
-pair_style line cutoff --
cutoff = global cutoff for interactions (distance units) -
-Examples: -
-pair_style line 3.0 -pair_coeff * * 1.0 1.0 -pair_coeff 1 1 1.0 1.5 2.5 --
Description: -
-Style line treats particles which are line segments as a set of -small spherical particles that tile the line segment length as -explained below. Interactions between two line segments, each with N1 -and N2 spherical particles, are calculated as the pairwise sum of -N1*N2 Lennard-Jones interactions. Interactions between a line segment -with N spherical particles and a point particle are treated as the -pairwise sum of N Lennard-Jones interactions. See the pair_style -lj/cut doc page for the definition of Lennard-Jones -interactions. -
-The cutoff distance for an interaction between 2 line segments, or -between a line segment and a point particle, is calculated from the -position of the line segment (its center), not between pairs of -individual spheres comprising the line segment. Thus an interaction -is either calculated in its entirety or not at all. -
-The set of non-overlapping spherical particles that represent a line -segment, for purposes of this pair style, are generated in the -following manner. Their size is a function of the line segment length -and the specified sigma for that particle type. If a line segment has -a length L and is of type I, then the number of spheres N that -represent the segment is calculated as N = L/sigma_II, rounded up to -an integer value. Thus if L is not evenly divisibly by sigam_II, N is -incremented to include one extra sphere. In this case, the spheres -must be slightly smaller than sigma_II so as not to overlap, so a new -sigma-prime is chosen as the sphere diameter, such that L/N = -sigma-prime. Thus the line segment interacts with other segments or -point particles as a collection of N spheres of diameter sigma-prime, -evenly spaced along the line segment, so as to exactly cover its -length. -
-The LJ interaction between 2 spheres on different line segments of -types I,J is computed with an arithmetic mixing of the sigma values of -the 2 spheres and using the specified epsilon value for I,J atom -types. Note that because the sigma values for line segment spheres is -computed using only sigma_II values, specific to the line segment's -type, this means that any specified sigma_IJ values (for I != J) are -effectively ignored. -
-For style line, the following coefficients must be defined for each -pair of atoms types via the pair_coeff command as in -the examples above, or in the data file or restart files read by the -read_data or read_restart -commands: -
-The last coefficient is optional. If not specified, the global cutoff -is used. -
-Mixing, shift, table, tail correction, restart, rRESPA info: -
-For atom type pairs I,J and I != J, the epsilon and sigma coefficients -and cutoff distance for all of this pair style can be mixed. The -default mix value is geometric. See the "pair_modify" command for -details. -
-This pair style does not support the pair_modify -shift, table, and tail options. -
-This pair style does not write its information to binary restart -files. -
-This pair style can only be used via the pair keyword of the -run_style respa command. It does not support the -inner, middle, outer keywords. -
-Restrictions: -
-This style is part of the ASPHERE package. It is only enabled if -LAMMPS was built with that package. See the Making -LAMMPS section for more info. -
-Defining particles to be line segments so they participate in -line/line or line/particle interactions requires the use the -atom_style line command. -
-Related commands: -
- -Default: none -
- diff --git a/doc/pair_line.txt b/doc/pair_line.txt deleted file mode 100644 index 160800250b..0000000000 --- a/doc/pair_line.txt +++ /dev/null @@ -1,112 +0,0 @@ -"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 line command :h3 - -[Syntax:] - -pair_style line cutoff :pre - -cutoff = global cutoff for interactions (distance units) - -[Examples:] - -pair_style line 3.0 -pair_coeff * * 1.0 1.0 -pair_coeff 1 1 1.0 1.5 2.5 :pre - -[Description:] - -Style {line} treats particles which are line segments as a set of -small spherical particles that tile the line segment length as -explained below. Interactions between two line segments, each with N1 -and N2 spherical particles, are calculated as the pairwise sum of -N1*N2 Lennard-Jones interactions. Interactions between a line segment -with N spherical particles and a point particle are treated as the -pairwise sum of N Lennard-Jones interactions. See the "pair_style -lj/cut"_pair_lj.html doc page for the definition of Lennard-Jones -interactions. - -The cutoff distance for an interaction between 2 line segments, or -between a line segment and a point particle, is calculated from the -position of the line segment (its center), not between pairs of -individual spheres comprising the line segment. Thus an interaction -is either calculated in its entirety or not at all. - -The set of non-overlapping spherical particles that represent a line -segment, for purposes of this pair style, are generated in the -following manner. Their size is a function of the line segment length -and the specified sigma for that particle type. If a line segment has -a length L and is of type I, then the number of spheres N that -represent the segment is calculated as N = L/sigma_II, rounded up to -an integer value. Thus if L is not evenly divisibly by sigam_II, N is -incremented to include one extra sphere. In this case, the spheres -must be slightly smaller than sigma_II so as not to overlap, so a new -sigma-prime is chosen as the sphere diameter, such that L/N = -sigma-prime. Thus the line segment interacts with other segments or -point particles as a collection of N spheres of diameter sigma-prime, -evenly spaced along the line segment, so as to exactly cover its -length. - -The LJ interaction between 2 spheres on different line segments of -types I,J is computed with an arithmetic mixing of the sigma values of -the 2 spheres and using the specified epsilon value for I,J atom -types. Note that because the sigma values for line segment spheres is -computed using only sigma_II values, specific to the line segment's -type, this means that any specified sigma_IJ values (for I != J) are -effectively ignored. - -For style {line}, the following coefficients must be defined for each -pair of atoms types via the "pair_coeff"_pair_coeff.html command as in -the examples above, or in the data file or restart files read by the -"read_data"_read_data.html or "read_restart"_read_restart.html -commands: - -epsilon (energy units) -sigma (distance units) -cutoff (distance units) :ul - -The last coefficient is optional. If not specified, the global cutoff -is used. - -:line - -[Mixing, shift, table, tail correction, restart, rRESPA info]: - -For atom type pairs I,J and I != J, the epsilon and sigma coefficients -and cutoff distance for all of this pair style can be mixed. The -default mix value is {geometric}. See the "pair_modify" command for -details. - -This pair style does not support the "pair_modify"_pair_modify.html -shift, table, and tail options. - -This pair style does not write its information to "binary restart -files"_restart.html. - -This pair style can only be used via the {pair} keyword of the -"run_style respa"_run_style.html command. It does not support the -{inner}, {middle}, {outer} keywords. - -:line - -[Restrictions:] - -This style is part of the ASPHERE package. It is only enabled if -LAMMPS was built with that package. See the "Making -LAMMPS"_Section_start.html#2_3 section for more info. - -Defining particles to be line segments so they participate in -line/line or line/particle interactions requires the use the -"atom_style line"_atom_style.html command. - -[Related commands:] - -"pair_coeff"_pair_coeff.html - -[Default:] none diff --git a/doc/pair_tri.html b/doc/pair_tri.html deleted file mode 100644 index 931819e107..0000000000 --- a/doc/pair_tri.html +++ /dev/null @@ -1,120 +0,0 @@ - -Syntax: -
-pair_style tri cutoff --
cutoff = global cutoff for interactions (distance units) -
-Examples: -
-pair_style tri 3.0 -pair_coeff * * 1.0 1.0 -pair_coeff 1 1 1.0 1.5 2.5 --
Description: -
-Style tri treats particles which are triangles as a set of small -spherical particles that tile the triangle surface as explained below. -Interactions between two triangles, each with N1 and N2 spherical -particles, are calculated as the pairwise sum of N1*N2 Lennard-Jones -interactions. Interactions between a triangle with N spherical -particles and a point particle are treated as the pairwise sum of N -Lennard-Jones interactions. See the pair_style lj/cut -doc page for the definition of Lennard-Jones interactions. -
-The cutoff distance for an interaction between 2 triangles, or between -a triangle and a point particle, is calculated from the position of -the triangle (its centroid), not between pairs of individual spheres -comprising the triangle. Thus an interaction is either calculated in -its entirety or not at all. -
-The set of non-overlapping spherical particles that represent a -triangle, for purposes of this pair style, are generated in the -following manner. Assume the triangle is of type I, and sigma_II has -been specified. We want a set of spheres with centers in the plane of -the triangle, none of them larger in diameter than sigma_II, which -completely cover the triangle's area, but with minimial overlap and a -minimal total number of spheres. This is done in a recursive manner. -Place a sphere at the centroid of the original triangle. Calculate -what diameter it must have to just cover all 3 corner points of the -triangle. If that diameter is equal to or smaller than sigma_II, then -include a sphere of the calculated diameter in the set of covering -spheres. It the diameter is larger than sigma_II, then split the -triangle into 2 triangles by bisecting its longest side. Repeat the -process on each sub-triangle, recursing as far as needed to generate a -set of covering spheres. When finished, the original criteria are -met, and the set of covering spheres shoule be near minimal in number -and overlap, at least for input triangles with a reasonable -aspect-ratio. -
-The LJ interaction between 2 spheres on different triangles of types -I,J is computed with an arithmetic mixing of the sigma values of the 2 -spheres and using the specified epsilon value for I,J atom types. -Note that because the sigma values for triangles spheres is computed -using only sigma_II values, specific to the triangles's type, this -means that any specified sigma_IJ values (for I != J) are effectively -ignored. -
-For style tri, the following coefficients must be defined for each -pair of atoms types via the pair_coeff command as in -the examples above, or in the data file or restart files read by the -read_data or read_restart -commands: -
-The last coefficient is optional. If not specified, the global cutoff -is used. -
-Mixing, shift, table, tail correction, restart, rRESPA info: -
-For atom type pairs I,J and I != J, the epsilon and sigma coefficients -and cutoff distance for all of this pair style can be mixed. The -default mix value is geometric. See the "pair_modify" command for -details. -
-This pair style does not support the pair_modify -shift, table, and tail options. -
-This pair style does not write its information to binary restart -files. -
-This pair style can only be used via the pair keyword of the -run_style respa command. It does not support the -inner, middle, outer keywords. -
-Restrictions: -
-This style is part of the ASPHERE package. It is only enabled if -LAMMPS was built with that package. See the Making -LAMMPS section for more info. -
-Defining particles to be triangles so they participate in tri/tri or -tri/particle interactions requires the use the atom_style -tri command. -
-Related commands: -
- -Default: none -
- diff --git a/doc/pair_tri.txt b/doc/pair_tri.txt deleted file mode 100644 index 47aea453e5..0000000000 --- a/doc/pair_tri.txt +++ /dev/null @@ -1,115 +0,0 @@ -"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 tri command :h3 - -[Syntax:] - -pair_style tri cutoff :pre - -cutoff = global cutoff for interactions (distance units) - -[Examples:] - -pair_style tri 3.0 -pair_coeff * * 1.0 1.0 -pair_coeff 1 1 1.0 1.5 2.5 :pre - -[Description:] - -Style {tri} treats particles which are triangles as a set of small -spherical particles that tile the triangle surface as explained below. -Interactions between two triangles, each with N1 and N2 spherical -particles, are calculated as the pairwise sum of N1*N2 Lennard-Jones -interactions. Interactions between a triangle with N spherical -particles and a point particle are treated as the pairwise sum of N -Lennard-Jones interactions. See the "pair_style lj/cut"_pair_lj.html -doc page for the definition of Lennard-Jones interactions. - -The cutoff distance for an interaction between 2 triangles, or between -a triangle and a point particle, is calculated from the position of -the triangle (its centroid), not between pairs of individual spheres -comprising the triangle. Thus an interaction is either calculated in -its entirety or not at all. - -The set of non-overlapping spherical particles that represent a -triangle, for purposes of this pair style, are generated in the -following manner. Assume the triangle is of type I, and sigma_II has -been specified. We want a set of spheres with centers in the plane of -the triangle, none of them larger in diameter than sigma_II, which -completely cover the triangle's area, but with minimial overlap and a -minimal total number of spheres. This is done in a recursive manner. -Place a sphere at the centroid of the original triangle. Calculate -what diameter it must have to just cover all 3 corner points of the -triangle. If that diameter is equal to or smaller than sigma_II, then -include a sphere of the calculated diameter in the set of covering -spheres. It the diameter is larger than sigma_II, then split the -triangle into 2 triangles by bisecting its longest side. Repeat the -process on each sub-triangle, recursing as far as needed to generate a -set of covering spheres. When finished, the original criteria are -met, and the set of covering spheres shoule be near minimal in number -and overlap, at least for input triangles with a reasonable -aspect-ratio. - -The LJ interaction between 2 spheres on different triangles of types -I,J is computed with an arithmetic mixing of the sigma values of the 2 -spheres and using the specified epsilon value for I,J atom types. -Note that because the sigma values for triangles spheres is computed -using only sigma_II values, specific to the triangles's type, this -means that any specified sigma_IJ values (for I != J) are effectively -ignored. - -For style {tri}, the following coefficients must be defined for each -pair of atoms types via the "pair_coeff"_pair_coeff.html command as in -the examples above, or in the data file or restart files read by the -"read_data"_read_data.html or "read_restart"_read_restart.html -commands: - -epsilon (energy units) -sigma (distance units) -cutoff (distance units) :ul - -The last coefficient is optional. If not specified, the global cutoff -is used. - -:line - -[Mixing, shift, table, tail correction, restart, rRESPA info]: - -For atom type pairs I,J and I != J, the epsilon and sigma coefficients -and cutoff distance for all of this pair style can be mixed. The -default mix value is {geometric}. See the "pair_modify" command for -details. - -This pair style does not support the "pair_modify"_pair_modify.html -shift, table, and tail options. - -This pair style does not write its information to "binary restart -files"_restart.html. - -This pair style can only be used via the {pair} keyword of the -"run_style respa"_run_style.html command. It does not support the -{inner}, {middle}, {outer} keywords. - -:line - -[Restrictions:] - -This style is part of the ASPHERE package. It is only enabled if -LAMMPS was built with that package. See the "Making -LAMMPS"_Section_start.html#2_3 section for more info. - -Defining particles to be triangles so they participate in tri/tri or -tri/particle interactions requires the use the "atom_style -tri"_atom_style.html command. - -[Related commands:] - -"pair_coeff"_pair_coeff.html - -[Default:] none