Lammps next

The eighth LAMMPS Workshop and Symposium was held virtually on August 8-11, 2023 and was hosted by Temple University. Instead of a numeric value, N can be specified as an equal-style (Los2017) J. Snapshots from LAMMPS simulations can be viewed, visualized, and analyzed in a variety of ways. The operation of this fix is exactly like that described by the fix nve LAMMPS stands for L arge-scale A tomic/ M olecular M assively P arallel S imulator. 4. These fixes may now also be used during minimization. It is an open-source code, distributed freely. This command sets the style of units used for a simulation. “Extended Tersoff potential for boron nitride: Energetics and elastic properties of pristine and defective h-BN”, Phys. Unlike most variable styles, which remain defined, atomfile-style variables are deleted during a clear command. Tstart,Tstop = desired temperature at start/end of run (temperature units) Tstart can be a variable (see below) window = only rescale if temperature is outside this window (temperature units) fraction = rescale to Apr 17, 2018 · The “%” wild-card character is only supported by the native format for dump files, described next. These doc pages describe how to perform various tasks with LAMMPS, both for users and developers. Apr 17, 2018 · This fix computes a temperature and pressure each timestep. tar -xzvf file. dump out all yaml 100 dump. I. Either will pre-allocate space in LAMMPS data structures for storing the new bonds (angles, dihedrals, impropers). Similar to dump files, the data filename can contain a “*” wild-card character. The solution is to make the two faces differ by epsilon in their position. under the terms of the GNU Public License (GPL) version 2. . argon is located in the folder argon 2. For example, if the atom ID of an O atom in a TIP4P water molecule is 500, then its 2 H atoms must have IDs 501 and 502. variable. These pages explain how to run LAMMPS once you have installed an executable or downloaded the source code and built an executable. It provides optimized and multi-threaded versions of many pair styles, nearly all bonded styles (bond, angle, dihedral, improper), several Kspace styles, and a few fix styles. zero or more keyword/value pairs may be appended. Either the full word or a one or two letter abbreviation can be used: -e or -echo. e. It's an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. github. This command opens a new input script file and begins reading LAMMPS commands from that file. Details on what is changed by this patch are here and details for all releases are here . See the compute temp command for details. 4 1 limit_damping. 9. The three elements correspond to the three gamma elements Apr 17, 2018 · Thus this auxiliary information should be defined in the usual way, e. When the “a” variable has been incremented for the tenth time, it will cause the next jump command to be skipped. more information about the code and its uses. Dump files, which contain snapshots of atoms and various per Below is an example for a YAML format dump created by the following commands. All masses must be defined before a simulation is run. lammps. It determines the units of all quantities specified in the input script and data file, as well as quantities output to the screen, log file, and dump files. The boundary <boundary> command settings explained above for the 6 faces of an orthogonal box also apply in similar manner to the 6 faces of a restricted System-wide Installation. When using the minimum as reference width. The main website can be accessed from this page , and the functions used for the Matplotlib graphs are available here. This fix invokes the velocity form of the Stoermer-Verlet time integration algorithm (velocity-Verlet). If reading parallel dump files, you must also use the nfile keyword to tell LAMMPS how many parallel files exist, via its specified Nfiles value. The format of the dump file is selected through the format keyword. 0 50. Unless a jump command was used previously, this does nothing. If used, the every keyword must be the last keyword, since it has a variable number of arguments. Note that the ID of the new compute is the fix-ID + underscore + “temp”, and the group for the new compute is the For the box style, the create_atoms command fills the entire simulation box with particles on the lattice. Also, the “next t” and “next a” commands would need to be replaced with a single “next a t” command. SHAKE vs RATTLE: The SHAKE algorithm was invented for schemes such as standard Verlet timestepping, where only the coordinates are integrated and the velocities are approximated as finite differences to the trajectories (Ryckaert et al. To do this, the fix creates its own computes of style “temp/body” and “pressure”, as if these commands had been issued: See the compute temp/body and compute pressure commands for details. All variables in next command must be same style. At each iteration the force gradient is combined with the previous iteration information to compute a new search direction perpendicular (conjugate) to the previous search LAMMPS input scripts. This can be used to tell the running LAMMPS instance to stop at the next timestep. Rev. variable” and “tmp. additional thermostat related keyword/value pairs from the fix nvt command can be appended. lock” which you will see in your directory during and after such a LAMMPS run. Fix momentum zeroes the linear and/or angular momentum of the group of atoms every N timesteps by adjusting the velocities of the atoms. K = force constant for indenter surface (force/distance^2 units) gstyle = sphere or cylinder or cone or plane. Or two groups of atoms can be brought into closer proximity. It also partitions the box into a regular 3d grid of smaller sub-boxes, one per processor (MPI task). Neighbor lists. (1977)). 5. fx,fy,fz = force component values. This creates a system trajectory consistent with the microcanonical ensemble. in a data file read in by a read_data command, before using the rerun command. h5 = name of file to write to. setforce = style name of this fix command. Howto discussions. 1 Specifying Characteristic of your LAMMPS Simulation Apr 17, 2018 · Description. x, y, z = position of center of indenter (distance units) R = sphere radius of indenter (distance units) any of x, y, z, R can be a variable (see below) cylinder args Feature release 21 November 2023 Pre-release. one or more keyword value pairs may be appended. Displace a group of atoms. thermo_modify , fix temp/rescale, fix npt , etc. LAMMPS development is coordinated through the “LAMMPS GitHub site”. Choose a minimization algorithm to use when a minimize command is performed. execution of the script will begin at this line. argon in. If the filename is a variable Apr 17, 2018 · Using this header flag is deprecated; please use the extra/bond/per/atom keyword (and correspondingly for angles, dihedrals and impropers) in the read_data command instead. The next command is used to exit the loop after 10 iterations. In the vast majority of situations, this is adequate. Visualize LAMMPS snapshots. Run LAMMPS. -i or -in. These tutorials were created by Simon Gravelle at ICP in Stuttgart, Germany. The lammps class is the core of the LAMMPS Python interfaces. LAMMPS snapshots are created by the dump command, which can create files in several formats. The LAMMPS WWW Site at www. This will install the executables “lammps_serial” and “lammps_mpi”, as well as the LAMMPS “doc”, “potentials”, “tools”, “bench”, and “examples” directories. gz suffix). 0. Include files can be nested as deeply as desired. It uses the OpenMP interface for multi-threading, but can After installing Homebrew, you can install LAMMPS on your system with the following commands: brew install lammps. The geometry of the partitioning is based on the size and shape of the simulation box, the number of processors being used and the settings of the processors command. Running LAMMPS on multiple partitions of processors via the “-partition” command-line switch is described in this section of the manual. Define a long-range solver for LAMMPS to use each timestep to compute long-range Coulombic interactions or long-range 1 / r 6 interactions. . The “*” is replaced with the current timestep value. Originally developed at Sandia National Laboratories, a US Department of Energy Syntax. Previous Next. 6e". the line search fails because the step distance backtracks to 0. yaml id type x y z vx vy vz ix iy iz dump_modify out time yes units yes thermo yes format 1 %5d format "% 10. LAMMPS is a classical molecular dynamics (MD) code that models ensembles of particles in a liquid, solid, or gaseous state. Download a tarball. where Phi is the third order force constant tensor. Apr 17, 2024 · LAMMPS stands for L arge-scale A tomic/ M olecular M assively P arallel S imulator. Description. Then press the autoload button. In that case the constraints are approximated by strong harmonic restraints. nvt/sllod = style name of this fix command. If your LAMMPS simulation has 4 atoms types and you want the first 3 to be Si, and the fourth to be C, you would use the following pair_coeff command: The first 2 arguments must be * * so as to span all LAMMPS atom types. The every keyword provides a means of breaking a LAMMPS run into a series of shorter runs. neigh_modify keyword values one or more keyword/value pairs may be listed. It also comes with a large collection of add-on modules for many For triclinic boxes and scaled coordinates you must specify all 3 of the x,y,z fields, else LAMMPS cannot reconstruct the unscaled coordinates. fixes that modify forces or velocities). 7. If a command itself requires a quoted argument (e. To run a LAMMPS in serial, type these lines into Python interactively from the bench directory: from lammps import lammps lmp = lammps() lmp. For all units except lj, LAMMPS uses physical constants 1. damping/cundall = style name of this fix command. 1 LAMMPS Script Basics & Building a System from Scratch This subsection introduces you to some fundamental LAMMPS commands in the context of simulating condensed argon. It was designed to run efficiently on parallel computers and to be easy to extend and modify. LAMMPS is an open-source code, available free-of-charge, and distributed under the terms of the GNU Public License Version 2 (GPLv2), which means you can use or modify the code however you wish for your own purposes, but have to adhere to certain rules when redistributing it - specifically in binary form - or are In the last 2 examples, if LAMMPS were run on 3 partitions, the same scripts could be used if the “index” and “loop” variables were replaced with universe-style variables, as described in the variable command. py. Running LAMMPS and Python in serial. Recorded Livestreams Until we have post-processed the recordings of the workshop and integrated them into this website, you can watch the complete recordings of the live streams of the workshop on YouTube . One (or both) of the linear or angular keywords must be specified. Fix momentum/chunk works equivalently, but operates on a per-chunk basis. Select the code you want, click the " Download " link, and your browser should download a gzipped tar file. Modify certain attributes of atoms defined and stored within LAMMPS, in addition to what is specified by the atom_style command. Output from LAMMPS (thermo, dumps, computes, fixes, variables) 8. If the linear keyword is used, the linear momentum is 2. The coul/cut style computes the standard Coulombic interaction potential given by. Also note that the frequency of thermodynamic or dump output from the rerun simulation will depend on settings made in the rerun script, the same as for output from any LAMMPS simulation. Angle atom missing in delete_bonds Run LAMMPS — LAMMPS documentation. Typically, the larger the skin distance, the less often neighbor lists need to be built, but more pairs must be checked for First, consider using the fix print command, which will print a string periodically during a simulation. 8. the 2-norm (length) of the global force vector is less than the ftol. region value = region-ID. 4. The _same_ potential function becomes: E = ϵ [ ( r 0 r) 12 − 2 ( r 0 r) 6] r < r c. Note that the IDs of the new computes are the fix-ID + underscore + “temp” or fix_ID Description. Changes since the 2 August 2023 release: New per-atom compute to calculate local atom type compositions (Megan McCarthy, SNL) PR #3871. type = atom type (1-N) To perform the conversion, there are two ways to proceed: The "easy one": First select the gro and top files. Third, the print command could appear in a section of the input script that is looped over (see the jump and next commands). file("in. ID, group-ID are documented in fix command. Originally developed at Sandia National Laboratories, a US Department of Energy ID, group-ID are documented in fix command. Calculate the third order force constant tensor by finite difference of the selected group, Φ i j k α β γ = ∂ 3 U ∂ x i, α ∂ x j, β ∂ x k, γ. Let Ntable = N in the pair_style command, and Nfile = “N” in the tabulated file. The first three Si arguments map LAMMPS atom types 1, 2, and 3 to the Si element in the SW file. fix_style = deform or deform/pressure. gamma_l = linear damping coefficient (dimensionless) gamma_a = angular damping coefficient (dimensionless) zero or more keyword/value pairs may be appended. All universe/uloop variables must have same # of values. GPL version of LAMMPS. When such a solver is used in conjunction with an appropriate pair style, the cutoff for This creates a system trajectory consistent with the microcanonical ensemble (NVE) provided there are (full) periodic boundary conditions and no other “manipulations” of the system (e. The parameter “N” is required and its value is the number of table entries that follow. The native LAMMPS dump format is a text file (see “dump atom” or “dump custom”) which can be visualized by several The LAMMPS calculation will be run in a concurrent thread so that the GUI can stay responsive and be updated during the run. gz. They are a collection of step-by-step tutorials for building and simulation several different kinds of systems. Once LAMMPS is installed, you can test the ID, group-ID are documented in fix command. Each file read by the neb/spin command containing spin coordinates used to initialize one or more replicas must be formatted as follows. They must also all be defined before a velocity or fix shake command is used. But if a jump command was used with a label argument to begin invoking this script file, then all command lines in the script prior to this line will be ignored. The neighbor command with LAMMPS is used to set the so-called “skin” distance used when building neighbor lists. The code is maintained by the LAMMPS development team who can be emailed. A restart file is not written on the last timestep of a run unless it is a multiple of N. LAMMPS is a classical molecular dynamics code with a focus on materials modeling. The id and map keywords must be specified before a simulation box is defined; other keywords can be specified any time. ID = user-assigned name for the dump. If input script A includes script B, and B includes A, then LAMMPS could run for a long time. Benefits of using a virtualenv. If specified, it must be the Apr 17, 2018 · This is because LAMMPS discards points that are part of multiple sub-regions when calculating wall/particle interactions, to avoid double-counting the interaction. 2, etc. Each of the trailing arguments is a single LAMMPS To do this, the thermostat and barostat fixes create their own computes of style “temp” and “pressure”, as if one of these sets of commands had been issued: For fix nvt: compute fix-ID_temp group-ID temp. The individual methods in this class try to closely follow the corresponding C functions. LAMMPS executes calculations by reading commands from a input script (text file), one line at a time. Figure: (left) Lennard-Jones fluid mixture (middle) Carbon nanotube (right) Water molecules in a cracked silica. any of fx,fy,fz can be a variable (see below) zero or more keyword/value pairs may be appended to args. keyword = psllod psllod value = no or yes = use SLLOD or p-SLLOD variant, respectively. Most of the long-range solvers perform their computation in K-space, hence the name of this command. The next line is concatenated to the previous line by removing the “&” character and line break. 1, file. The cutoff r c truncates the interaction distance. Finally press the convert button, you can press this last one using space-key also. 8. The example input scripts included in the examples directory of the LAMMPS source code distribution and highlighted on the This command must come after the simulation box is defined by a read_data, read_restart, or create_box command. Installation inside of a virtualenv. You can create your own development branches to add code to LAMMPS. 22 Dec 2022. Note that the thermo_style custom command has keywords for outputting the various parameters that define the size and shape of orthogonal, restricted triclinic, and general triclinic simulation boxes. where C is an energy-conversion constant, Qi and Qj are the charges on the 2 atoms, and ϵ is the dielectric constant which can be set by the dielectric command. Output from LAMMPS (thermo, dumps, computes, fixes, variables) There are four basic forms of LAMMPS output: Thermodynamic output, which is a list of quantities printed every few timesteps to the screen and logfile. Self-explanatory. lj") Or put the same lines in the file test. keyword = region. E = C q i q j ϵ r r < r c. This is often useful when the simulated system has undergone significant modifications like adding or removing atoms or molecules, joining 2. Overview of LAMMPS. These commands perform 10 runs, each of 10000 steps, and create 10 dump files named file. Apr 17, 2024 · LAMMPS is a classical molecular dynamics simulation code focusing on materials modeling. To do this, the fix creates its own compute of style “temp”, as if this command had been issued: compute fix-ID_temp group-ID temp. Syntax. Second, the print command can be used as an argument to the every option of the run command. Download the LAMMPS source with git. Typically, this command is used at the very beginning of an input script. keyword = temp or iso or aniso or tri or x or y or z or xy or yz or xz or couple or tchain or pchain or mtk or tloop or ploop or nreset or drag or dilate or scalexy or scaleyz or scalexz or flip or alpha or continue or fixedpoint. 2. OPENMP package. Creating a new instance of PyLammps. where E kin is the total kinetic energy of the For each TIP4P water molecule in your system, the atom IDs for the O and 2 H atoms must be consecutive, with the O atom first. The minimizers in LAMMPS operate on all spins in your system, even non-GNEB atoms, as defined above. If you are not familiar with Python, it is a powerful scripting and programming language which can do almost everything that compiled languages like C, C++, or Fortran can do in fewer lines of code. 6. charge = 0. Each parameter is a keyword followed by one or more numeric values. Set one or more properties of one or more atoms. The following walks you through the commands appearing in the input file in. It is a wrapper around the LAMMPS C library API using the Python ctypes module and a shared library compiled from the LAMMPS sources code. , a print command), then double and single quotes can be used and nested Description. If the command is more than one word, it must enclosed in quotes, so it will be treated as a single argument, as in the examples above. one or more parameter/style/args sequences of arguments may be appended. LAMMPS input scripts. Optionally, one or more LAMMPS commands (c1, c2, …, cN) will be executed in between the short runs. This allows long commands to be continued across The minimization procedure stops if any of several criteria are met: the change in energy between outer iterations is less than etol. The OPENMP package was developed by Axel Kohlmeyer at Temple University. group-ID = ID of the group of atoms to be imaged. at developers@lammps. keyword = delay or every or check or once or cluster or include or exclude or page or one or binsize or collection/type or collection/interval delay value = N. The id keyword determines whether non-zero atom IDs can be assigned to each atom. Either way, you should see the results of running the in Description. box/relax = style name of this fix command. N = perform rescaling every N steps. Commands. The read_data command also describes their format. Unpack it with the following command, and see the README file to get started. org. Command-line options. Creating a virtualenv with lammps installed. At run time, LAMMPS recognizes several optional command-line switches which may be used in any order. In contrast to the set command, it does this in a collective manner which resets the values for many atoms in a self-consistent way. A restart file is written on the last timestep of a minimization if N > 0 and the minimization converges. This fix computes a temperature each timestep. If you clone the LAMMPS repository onto your local machine, it has several advantages: You can stay current with changes to LAMMPS with a single git command. Grimme’s method is widely used to correct for dispersion in density functional theory Apr 17, 2018 · Description. file. LAMMPS tutorials. Data files can be read by the read data command to begin a simulation. General triclinic boxes (arbitrary edge vectors A , B, and C) are converted internally to restricted triclinic boxes with tilt factors (xy,xz,yz) which skew an otherwise orthogonal box. This can be used to move atoms a large distance before beginning a simulation or to randomize atoms initially on a lattice. All atom pairs within a neighbor cutoff distance equal to the their force cutoff plus the skin distance are stored in the list. Example Python scripts. This is different from programs that read and process the entire input before starting a calculation. The tags “time”, “units”, and “thermo” are optional and enabled by the dump_modify command. N = delay building neighbor lists until this many steps since last build. g. H. the number of outer iterations or timesteps exceeds maxiter. one or more keyword/value pairs may be appended. ) can be any valid LAMMPS input script command. B 96 (184108), 2017. -k or -kokkos. 1. When enclosing a type label with quotation marks, the LAMMPS input parser may require adding leading or trailing blanks around the type label so it can identify the enclosing quotation marks. For fix npt and fix nph: compute fix-ID_temp all temp compute fix-ID_press all pressure fix-ID_temp. Troubleshooting. The 2-norm is the “length” of this 3N-component force vector; the largest component (x, y, or z) of force (infinity-norm) is also given. In LAMMPS, the neighbor lists are stored in a multiple-page data structure; each page is a Apr 17, 2018 · To do this, the fix creates its own compute of style “temp/body”, as if this command had been issued: compute fix-ID_temp group-ID temp/body. python3 test. The next 2 lines give a measure of the gradient of the energy (force on all atoms). There were ~405,000 downloads of LAMMPS from Sept 2004 thru mid-year 2021. This command creates a simulation box. 0 0. The mass assigned to any type or atom must be > 0. You can use the write_restart command to write a restart file before a run begins. Using the “-in in. Apr 17, 2018 · Each command (t1, f1, e1, etc. Having two coincident faces could cause the face to become invisible to the particles. N = perform box deformation every this many timesteps. Handling LAMMPS errors. 3. LAMMPS automatically sets pairwise cutoff values for pair_style granular based on particle radii (and in the case of jkr pull-off distances). org has. This can be useful for overriding the default values assigned by the create_atoms command (e. Only new features or notable changes are highlighted here: New package ML-POD with a pair style for machine learning potentials using "proper orthogonal descriptors" (POD) and a command for training (Ngoc Cuong Nguyen, MIT and Andrew Rohskopf A compute of this style can be used by any command that computes a temperature, e. 0 500. Note. h5md = style of dump command (other styles atom or cfg or dcd or xtc or xyz or local or custom are discussed on the dump doc page) N = dump every this many timesteps. This is a set of tutorials created by Mark Tschopp (now at US Army Research Lab) when he was at the Center for Advanced Apr 17, 2018 · fix ID group-ID box/relax keyword value ID, group-ID are documented in fix command. Universe- and uloop-style variables are incremented using the files “tmp. See the discussion in the next sub-section about general triclinic simulation boxes in LAMMPS. io/. If the label contains both a single and a double quotation mark, then triple quotation (“””) must be used. keyword = scale scale values = type ratio or v_name. The granular pair styles also detect if this fix has been defined and compute interactions between frozen and non-frozen particles appropriately, as if the frozen particle has infinite mass. py and run it as. If your simulation box is periodic, you should ensure its size is a multiple of the lattice spacings, to avoid unwanted atom overlaps at the box boundaries. Style momb computes pairwise van der Waals (vdW) and short-range interactions using the Morse potential and (Grimme) method implemented in the Many-Body Metal-Organic (MOMB) force field described comprehensively in (Fichthorn) and (Zhou). All atom pairs within a cutoff distance equal to the horizon δ plus the skin distance are stored in the list. Step 2: Installing the LAMMPS Python package. This command sets parameters that affect the building of pairwise neighbor lists. LAMMPS is a classical molecular dynamics simulation code focusing on materials modeling. Since atom properties are initially assigned by the read_data , read_restart or create_atoms commands, this command changes those assignments. sphere args = x y z R. Unexpected crashes in LAMMPS may be due to too small a skin distance. Apr 17, 2018 · Description. Write a data file in text format of the current state of the simulation. region-ID = ID of region atoms must be in to have added force. Note that the ID of the new compute is the fix-ID + underscore + “temp”, and the group for the new compute is the same as the fix group. When the new file is finished, the original file is returned to. Style cg is the Polak-Ribiere version of the conjugate gradient (CG) algorithm. The glossary website page also lists MD terminology, with links to corresponding LAMMPS manual pages. The temperature is calculated by the formula. V is volume; E is energy. Note that σ is defined in the LJ formula as the zero-crossing distance for the potential, not as the energy minimum at r 0 = 2 1 6 σ. If not specified, the global LJ cutoff specified in the pair_style command is used. When the input script ends, LAMMPS exits. See the compute temp/body command for details. The lammps class API. LAMMPS is run from the command line, reading commands from a file via the -in command line flag, or from standard input. LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. Note that this may be different than the N specified in the pair_style table command. 0). The file can be ASCII text or a gzipped text file (detected by a . Using OpenKIM provides LAMMPS users with immediate access to a large number of ID, group-ID are documented in fix command. This is useful for preventing certain particles from moving in a simulation. Label this line of the input script with the chosen ID. Step 1: Building LAMMPS as a shared library. The kim command includes a set of sub-commands that allow LAMMPS users to use interatomic models (IM) (potentials and force fields) and their predictions for various physical properties archived in the Open Knowledgebase of Interatomic Models (OpenKIM) repository. T = 2 E kin N DOF k B with E kin = ∑ i = 1 N atoms 1 2 m i v i 2 and N DOF = n dim N atoms − n dim − N fix DOFs. fix ID group-ID fix_style N parameter style args keyword value ID, group-ID are documented in fix command. style_name = npt/cauchy. The reset_atoms command resets the values of a specified atom property. New fix press/langevin command for a langevin based barostat (Germain Clavier, TU Eindhoven) PR #3791. -h or -help. Here are 6 rules for how each line in the input script is parsed by LAMMPS: If the last printable character on the line is a “&” character, the command is assumed to continue on the next line. Each command causes LAMMPS to take some immediate The next line lists the initial and final energy, as well as the energy on the next-to-last iteration. Apr 17, 2018 · There are two ways to cause the next set of per-atom values from the file to be read: use the next command or the next() function in an atom-style variable, as discussed below. file” variant is recommended (see note below). 10. This is to enable LAMMPS to “find” the 2 H atoms associated with each O atom. Basics of running LAMMPS. Material and guides for beginner LAMMPS users. tar. indent = style name of this fix command. System state. It can model atomic, polymeric, biological, solid-state (metals, ceramics, oxides), granular, coarse-grained, or macroscopic systems using a variety of interatomic potentials (force fields) and boundary Aug 2, 2023 · funding from the DOE. Perform constant NVE integration to update position and velocity for nuclei and electrons in the group for the Antisymmetrized Wave Packet Molecular Dynamics model. The Stop LAMMPS entry will do this by calling lammps_force_timeout(), which is equivalent to a timer timeout 0 command. Los et al. https://lammpstutorials. Originally developed at Sandia National Laboratories, a US Department of Energy Description. For example, in a shear simulation, an initial strain can be imposed on the system. Zero out the force and torque on a granular particle. keyword = iso or aniso or tri or x or y or z or xy or yz or xz or couple or nreset or vmax or dilate or scaleyz or scalexz or scalexy or fixedpoint iso or aniso or Description. The output of the command is the tensor, three elements at a time. The Commands doc page describes how input scripts are structured and the commands they can contain. 2. The third example is equivalent to pair gran/hertz/history 1000. We would like to show you a description here but the site won’t allow us. temp/rescale = style name of this fix command. args = position options or image or velocity options or Description. To compute forces efficiently, each processor creates a Verlet-style neighbor list which enumerates all pairs of atoms i,j ( i = owned, j = owned or ghost) with separation less than the applicable neighbor list cutoff distance. im iz uv hv ys uc gq jc oj xu