recompile/recompute/reinit -> re-compile/re-compute/re-init
This commit is contained in:
@ -40,7 +40,7 @@ executable called "lmp" and a library called "liblammps.a" in the
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If your machine has multiple CPU cores (most do these days), using a
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command like "make -jN" (with N being the number of available local
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CPU cores) can be much faster. If you plan to do development on
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LAMMPS or need to recompile LAMMPS repeatedly, installation of the
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LAMMPS or need to re-compile LAMMPS repeatedly, installation of the
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ccache (= Compiler Cache) software may speed up compilation even more.
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After compilation, you can optionally copy the LAMMPS executable and
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@ -35,16 +35,16 @@ This initial compilation can take a long time, since LAMMPS is a large
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project with many features. If your machine has multiple CPU cores
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(most do these days), using a command like "make -jN mpi" (with N =
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the number of available CPU cores) can be much faster. If you plan to
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do development on LAMMPS or need to recompile LAMMPS repeatedly, the
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do development on LAMMPS or need to re-compile LAMMPS repeatedly, the
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installation of the ccache (= Compiler Cache) software may speed up
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compilation even more.
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After the initial build, whenever you edit LAMMPS source files, or add
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or remove new files to the source directory (e.g. by installing or
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uninstalling packages), you must recompile and relink the LAMMPS
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uninstalling packages), you must re-compile and relink the LAMMPS
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executable with the same "make" command. This makefiles dependencies
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should insure that only the subset of files that need to be are
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recompiled.
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re-compiled.
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NOTE: When you build LAMMPS for the first time, a long list of *.d
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files will be printed out rapidly. This is not an error; it is the
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@ -743,7 +743,7 @@ Self-explanatory. :dd
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Self-explanatory. :dd
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{Cannot (yet) use single precision with MSM (remove -DFFT_SINGLE from Makefile and recompile)} :dt
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{Cannot (yet) use single precision with MSM (remove -DFFT_SINGLE from Makefile and re-compile)} :dt
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Single precision cannot be used with MSM. :dd
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@ -5078,7 +5078,7 @@ Self-explanatory. :dd
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Occurs when number of neighbor atoms for an atom increased too much
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during a run. Increase SAFE_ZONE and MIN_CAP in fix_qeq.h and
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recompile. :dd
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re-compile. :dd
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{Fix qeq/point requires atom attribute q} :dt
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@ -5092,7 +5092,7 @@ Self-explanatory. :dd
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Occurs when number of neighbor atoms for an atom increased too much
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during a run. Increase SAFE_ZONE and MIN_CAP in fix_qeq.h and
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recompile. :dd
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re-compile. :dd
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{Fix qeq/shielded requires atom attribute q} :dt
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@ -5110,7 +5110,7 @@ Self-explanatory. :dd
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Occurs when number of neighbor atoms for an atom increased too much
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during a run. Increase SAFE_ZONE and MIN_CAP in fix_qeq.h and
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recompile. :dd
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re-compile. :dd
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{Fix qeq/slater requires atom attribute q} :dt
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@ -5541,7 +5541,7 @@ See the package gpu command. :dd
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{GPUs are requested but Kokkos has not been compiled for CUDA} :dt
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Recompile Kokkos with CUDA support to use GPUs. :dd
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Re-compile Kokkos with CUDA support to use GPUs. :dd
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{Ghost velocity forward comm not yet implemented with Kokkos} :dt
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@ -73,7 +73,7 @@ that package into your current Python installation.
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cd $LAMMPS_DIR/python
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python install.py :pre
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NOTE: Recompiling the shared library requires reinstalling the Python package
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NOTE: Recompiling the shared library requires re-installing the Python package
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Installation inside of a virtualenv :h5
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@ -1591,7 +1591,7 @@ plugin via the "dump molfile"_dump_molfile.html command. Plugins can
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be obtained from a VMD installation which has to match the platform
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that you are using to compile LAMMPS for. By adding plugins to VMD,
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support for new file formats can be added to LAMMPS (or VMD or other
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programs that use them) without having to recompile the application
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programs that use them) without having to re-compile the application
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itself. More information about the VMD molfile plugins can be found
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at
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"http://www.ks.uiuc.edu/Research/vmd/plugins/molfile"_http://www.ks.uiuc.edu/Research/vmd/plugins/molfile.
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@ -50,6 +50,6 @@ inaccurate relative timing data, because processors have to wait when
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communication occurs for other processors to catch up. Thus the
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reported times for "Communication" or "Other" may be higher than they
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really are, due to load-imbalance. If this is an issue, you can
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uncomment the MPI_Barrier() lines in src/timer.cpp, and recompile
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uncomment the MPI_Barrier() lines in src/timer.cpp, and re-compile
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LAMMPS, to obtain synchronized timings.
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@ -19,7 +19,7 @@ keyword = {extra/dof} or {extra} or {dynamic/dof} or {dynamic} :l
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N = # of extra degrees of freedom to subtract
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{extra} syntax is identical to {extra/dof}, will be disabled at some point
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{dynamic/dof} value = {yes} or {no}
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yes/no = do or do not recompute the number of degrees of freedom (DOF) contributing to the temperature
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yes/no = do or do not re-compute the number of degrees of freedom (DOF) contributing to the temperature
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{dynamic} syntax is identical to {dynamic/dof}, will be disabled at some point :pre
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:ule
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@ -182,7 +182,7 @@ change from zero to one at the location of the spike in g(r).
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NOTE: compute rdf can handle dynamic groups and systems where atoms
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are added or removed, but this causes that certain normalization
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parameters need to be recomputed in every step and include collective
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parameters need to be re-computed in every step and include collective
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communication operations. This will reduce performance and limit
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parallel efficiency and scaling. For systems, where only the type
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of atoms changes (e.g. when using "fix atom/swap"_fix_atom_swap.html),
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@ -25,7 +25,7 @@ Define a computation that outputs the CFL-stable time increment per
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particle. This time increment is essentially given by the speed of
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sound, divided by the SPH smoothing length. Because both the speed of
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sound and the smoothing length typically change during the course of a
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simulation, the stable time increment needs to be recomputed every
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simulation, the stable time increment needs to be re-computed every
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time step. This calculation is performed automatically in the
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relevant SPH pair styles and this compute only serves to make the
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stable time increment accessible for output purposes.
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@ -140,7 +140,7 @@ enough for a processor to acquire the ghost atoms its needs to compute
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bond, angle, etc interactions.
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If deleted bonds (angles, etc) are removed but the 1-2, 1-3, 1-4
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weighting list is not recomputed, this can cause a later "fix
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weighting list is not re-computed, this can cause a later "fix
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shake"_fix_shake.html command to fail due to an atom's bonds being
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inconsistent with the weighting list. This should only happen if the
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group used in the fix command includes both atoms in the bond, in
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@ -99,7 +99,7 @@ USER-MOLFILE package only provides the interface code, not the plugins.
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These can be obtained from a VMD installation which has to match the
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platform that you are using to compile LAMMPS for. By adding plugins
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to VMD, support for new file formats can be added to LAMMPS (or VMD
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or other programs that use them) without having to recompile the
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or other programs that use them) without having to re-compile the
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application itself. The plugins are installed in the directory:
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<VMDHOME>/plugins/<VMDARCH>/molfile
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@ -14,7 +14,7 @@ fix ID group-ID dt/reset N Tmin Tmax Xmax keyword values ... :pre
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ID, group-ID are documented in "fix"_fix.html command
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dt/reset = style name of this fix command
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N = recompute dt every N timesteps
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N = re-compute dt every N timesteps
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Tmin = minimum dt allowed which can be NULL (time units)
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Tmax = maximum dt allowed which can be NULL (time units)
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Xmax = maximum distance for an atom to move in one timestep (distance units)
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@ -63,7 +63,7 @@ electrostatics, or that contain parameters that depend on box size:
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all of these options will be initialized based on the cell size in the
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LAMMPS-side initial configuration and kept constant during the run.
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This is required to e.g. obtain reproducible and conserved forces.
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If the cell varies too wildly, it may be advisable to reinitialize
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If the cell varies too wildly, it may be advisable to re-initialize
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these interactions at each call. This behavior can be requested by
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setting the {reset} switch.
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@ -21,7 +21,7 @@ keyword = {temp} or {press} or {energy} or {virial} or {respa} or {dynamic/dof}
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{virial} value = {yes} or {no}
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{respa} value = {1} to {max respa level} or {0} (for outermost level)
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{dynamic/dof} value = {yes} or {no}
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yes/no = do or do not recompute the number of degrees of freedom (DOF) contributing to the temperature
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yes/no = do or do not re-compute the number of degrees of freedom (DOF) contributing to the temperature
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{bodyforces} value = {early} or {late}
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early/late = compute rigid-body forces/torques early or late in the timestep :pre
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:ule
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@ -442,11 +442,11 @@ couple none :pre
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The keyword/value option pairs are used in the following ways.
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The {reinit} keyword determines, whether the rigid body properties
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are reinitialized between run commands. With the option {yes} (the
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are re-initialized between run commands. With the option {yes} (the
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default) this is done, with the option {no} this is not done. Turning
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off the reinitialization can be helpful to protect rigid bodies against
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off the re-initialization can be helpful to protect rigid bodies against
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unphysical manipulations between runs or when properties cannot be
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easily recomputed (e.g. when read from a file). When using the {infile}
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easily re-computed (e.g. when read from a file). When using the {infile}
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keyword, the {reinit} option is automatically set to {no}.
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The {langevin} and {temp} and {tparam} keywords perform thermostatting
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@ -77,7 +77,7 @@ normalized. But since it represents the {absolute} displacement of
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group-ID2 relative to the fix group, (1,1,0) is a different spring
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than (-1,-1,0). For each vector component, the displacement can be
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described with the {auto} parameter. In this case the direction is
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recomputed in every step, which can be useful for steering a local
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re-computed in every step, which can be useful for steering a local
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process where the whole object undergoes some other change. When the
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relative positions and distance between the two groups are not in
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equilibrium, the same spring force described above is applied to atoms
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@ -16,7 +16,7 @@ max_cell_size = global maximum cell size for DSMC interactions (distance units)
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seed = random # seed (positive integer)
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weighting = macroparticle weighting
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Tref = reference temperature (temperature units)
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Nrecompute = recompute v*sigma_max every this many timesteps (timesteps)
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Nrecompute = re-compute v*sigma_max every this many timesteps (timesteps)
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Nsample = sample this many times in recomputing v*sigma_max :ul
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[Examples:]
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@ -29,7 +29,7 @@ The {python} pair style provides a way to define pairwise additive
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potential functions as python script code that is loaded into LAMMPS
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from a python file which must contain specific python class definitions.
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This allows to rapidly evaluate different potential functions without
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having to modify and recompile LAMMPS. Due to python being an
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having to modify and re-compile LAMMPS. Due to python being an
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interpreted language, however, the performance of this pair style is
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going to be significantly slower (often between 20x and 100x) than
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corresponding compiled code. This penalty can be significantly reduced
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@ -110,7 +110,7 @@ simulation.
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The two exceptions to this rule are (a) if the {angle} or {dihedral}
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keywords are set to {yes} (see below), or (b) if the
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"delete_bonds"_delete_bonds.html command is used with the {special}
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option that recomputes the 1-2,1-3,1-4 topologies after bonds are
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option that re-computes the 1-2,1-3,1-4 topologies after bonds are
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deleted; see the "delete_bonds"_delete_bonds.html command for more
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details.
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@ -177,7 +177,7 @@ void MSM::init()
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if (sizeof(FFT_SCALAR) != 8)
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error->all(FLERR,"Cannot (yet) use single precision with MSM "
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"(remove -DFFT_SINGLE from Makefile and recompile)");
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"(remove -DFFT_SINGLE from Makefile and re-compile)");
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// extract short-range Coulombic cutoff from pair style
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@ -419,7 +419,7 @@ void MSM::setup()
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boxlo = domain->boxlo_lamda;
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// ghost grid points depend on direct sum interaction limits,
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// so need to recompute local grid
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// so need to re-compute local grid
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set_grid_local();
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@ -394,7 +394,7 @@ void PairAGNI::read_file(char *file)
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if (nwords == 0) continue;
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if (nwords > MAXWORD)
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error->all(FLERR,"Increase MAXWORD and recompile");
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error->all(FLERR,"Increase MAXWORD and re-compile");
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// words = ptrs to all words in line
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