rename USER-SMD package to MACHDYN

This commit is contained in:
Axel Kohlmeyer
2021-06-29 17:18:35 -04:00
parent 8bf6805e1d
commit c085e55695
148 changed files with 164 additions and 164 deletions

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@ -145,7 +145,7 @@ set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE
USER-COLVARS USER-DIELECTRIC USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP
USER-H5MD ML-HDNNP LATBOLTZ USER-MANIFOLD USER-MDI MEAM USER-MESONT USER-MGPT
USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-PHONON USER-PLUMED USER-PTM USER-QTB
ML-RANN USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
ML-RANN USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD MACHDYN USER-SMTBQ USER-SPH
USER-TALLY USER-UEF USER-VTK ML-QUIP USER-QMMM USER-YAFF ML-PACE USER-BROWNIAN)
set(SUFFIX_PACKAGES CORESHELL GPU KOKKOS OPT USER-INTEL USER-OMP)
@ -351,7 +351,7 @@ else()
endif()
foreach(PKG_WITH_INCL KSPACE PYTHON ML-IAP VORONOI USER-COLVARS ML-HDNNP USER-MDI USER-MOLFILE USER-NETCDF
USER-PLUMED USER-QMMM ML-QUIP USER-SCAFACOS USER-SMD USER-VTK KIM LATTE MESSAGE MSCG COMPRESS ML-PACE)
USER-PLUMED USER-QMMM ML-QUIP USER-SCAFACOS MACHDYN USER-VTK KIM LATTE MESSAGE MSCG COMPRESS ML-PACE)
if(PKG_${PKG_WITH_INCL})
include(Packages/${PKG_WITH_INCL})
endif()

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@ -10,7 +10,7 @@ set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
ML-HDNNP USER-INTEL LATBOLTZ USER-MANIFOLD USER-MDI MEAM USER-MESODPD
USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP
ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP ML-RANN
USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD MACHDYN USER-SMTBQ USER-SPH
USER-TALLY USER-UEF USER-VTK USER-YAFF USER-DIELECTRIC)
foreach(PKG ${ALL_PACKAGES})

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@ -12,7 +12,7 @@ set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
ML-HDNNP USER-INTEL LATBOLTZ USER-MANIFOLD USER-MDI MEAM USER-MESODPD
USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP
ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP ML-RANN
USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD MACHDYN USER-SMTBQ USER-SPH
USER-TALLY USER-UEF USER-VTK USER-YAFF USER-DIELECTRIC)
foreach(PKG ${ALL_PACKAGES})

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@ -1,7 +1,7 @@
# Preset that turns on packages with automatic downloads of sources or potentials.
# Compilation of libraries like Plumed or ScaFaCoS can take a considerable amount of time.
set(ALL_PACKAGES KIM LATTE MSCG VORONOI USER-PLUMED USER-SCAFACOS USER-SMD USER-MESONT USER-MDI ML-PACE)
set(ALL_PACKAGES KIM LATTE MSCG VORONOI USER-PLUMED USER-SCAFACOS MACHDYN USER-MESONT USER-MDI ML-PACE)
foreach(PKG ${ALL_PACKAGES})
set(PKG_${PKG} ON CACHE BOOL "" FORCE)

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@ -6,7 +6,7 @@ set(WIN_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
ML-HDNNP USER-INTEL USER-MANIFOLD USER-MDI MEAM USER-MESODPD
USER-MESONT USER-MISC USER-MGPT USER-MOFFF USER-MOLFILE USER-OMP
USER-PHONON USER-PTM USER-QTB USER-REACTION USER-REAXC
USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF
USER-SDPD MACHDYN USER-SMTBQ USER-SPH USER-TALLY USER-UEF
USER-YAFF USER-DIELECTRIC)
foreach(PKG ${WIN_PACKAGES})

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@ -8,7 +8,7 @@ set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE
USER-BROWNIAN USER-BOCS CG-DNA CG-SDK USER-COLVARS
USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP MEAM
USER-MESODPD USER-MISC USER-MOFFF USER-OMP USER-PHONON USER-REACTION
USER-REAXC USER-SDPD USER-SPH USER-SMD USER-UEF USER-YAFF USER-DIELECTRIC)
USER-REAXC USER-SDPD USER-SPH MACHDYN USER-UEF USER-YAFF USER-DIELECTRIC)
foreach(PKG ${ALL_PACKAGES})
set(PKG_${PKG} ON CACHE BOOL "" FORCE)

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@ -5,7 +5,7 @@ set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MESSAGE MPIIO MSCG
PYTHON VORONOI
USER-ADIOS USER-ATC USER-AWPMD USER-H5MD ML-HDNNP LATBOLTZ USER-MOLFILE
USER-MESONT USER-MDI USER-NETCDF ML-PACE USER-PLUMED USER-QMMM ML-QUIP
USER-SCAFACOS USER-SMD USER-VTK)
USER-SCAFACOS MACHDYN USER-VTK)
foreach(PKG ${PACKAGES_WITH_LIB})
set(PKG_${PKG} OFF CACHE BOOL "" FORCE)

View File

@ -60,7 +60,7 @@ This is the list of packages that may require additional steps.
* :ref:`USER-QMMM <user-qmmm>`
* :ref:`ML-QUIP <ml-quip>`
* :ref:`USER-SCAFACOS <user-scafacos>`
* :ref:`USER-SMD <user-smd>`
* :ref:`MACHDYN <machdyn>`
* :ref:`USER-VTK <user-vtk>`
----------
@ -1930,9 +1930,9 @@ To build with this package, you must download and build the
----------
.. _user-smd:
.. _machdyn:
USER-SMD package
MACHDYN package
-------------------------------
To build with this package, you must download the Eigen3 library.

View File

@ -39,7 +39,7 @@ packages:
+--------------------------------------+--------------------------------------+------------------------------------+----------------------------------+--------------------------------+--------------------------------+
| :ref:`USER-MOLFILE <user-molfile>` | :ref:`USER-NETCDF <user-netcdf>` | :ref:`ML-PACE <ml-pace>` | :ref:`USER-PLUMED <user-plumed>` | :ref:`USER-OMP <user-omp>` | :ref:`USER-QMMM <user-qmmm>` |
+--------------------------------------+--------------------------------------+------------------------------------+----------------------------------+--------------------------------+--------------------------------+
| :ref:`ML-QUIP <ml-quip>` | :ref:`USER-SCAFACOS <user-scafacos>` | :ref:`USER-SMD <user-smd>` | :ref:`USER-VTK <user-vtk>` | | |
| :ref:`ML-QUIP <ml-quip>` | :ref:`USER-SCAFACOS <user-scafacos>` | :ref:`MACHDYN <machdyn>` | :ref:`USER-VTK <user-vtk>` | | |
+--------------------------------------+--------------------------------------+------------------------------------+----------------------------------+--------------------------------+--------------------------------+
The mechanism for including packages is simple but different for CMake

View File

@ -32,7 +32,7 @@ general-purpose as it is without their expertise and efforts.
* Metin Aktulga (MSU), USER-REAXC package for C version of ReaxFF
* Mike Brown (Intel), GPU and USER-INTEL packages
* Colin Denniston (U Western Ontario), LATBOLTZ package
* Georg Ganzenmuller (EMI), USER-SMD and USER-SPH packages
* Georg Ganzenmuller (EMI), MACHDYN and USER-SPH packages
* Andres Jaramillo-Botero (Caltech), USER-EFF package for electron force field
* Reese Jones (Sandia) and colleagues, USER-ATC package for atom/continuum coupling
* Christoph Kloss (DCS Computing), LIGGGHTS code for granular materials, built on top of LAMMPS

View File

@ -106,7 +106,7 @@ page gives those details.
* :ref:`USER-REAXC <PKG-USER-REAXC>`
* :ref:`USER-SCAFACOS <PKG-USER-SCAFACOS>`
* :ref:`USER-SDPD <PKG-USER-SDPD>`
* :ref:`USER-SMD <PKG-USER-SMD>`
* :ref:`MACHDYN <PKG-MACHDYN>`
* :ref:`USER-SMTBQ <PKG-USER-SMTBQ>`
* :ref:`USER-SPH <PKG-USER-SPH>`
* :ref:`USER-TALLY <PKG-USER-TALLY>`
@ -2445,9 +2445,9 @@ Sciences, Iran).
----------
.. _PKG-USER-SMD:
.. _PKG-MACHDYN:
USER-SMD package
MACHDYN package
----------------
**Contents:**
@ -2471,14 +2471,14 @@ Dynamics, Ernst Mach Institute, Germany).
**Install:**
This package has :ref:`specific installation instructions <user-smd>` on the :doc:`Build extras <Build_extras>` page.
This package has :ref:`specific installation instructions <machdyn>` on the :doc:`Build extras <Build_extras>` page.
**Supporting info:**
* src/USER-SMD: filenames -> commands
* src/USER-SMD/README
* doc/PDF/SMD_LAMMPS_userguide.pdf
* examples/PACKAGES/smd
* src/MACHDYN: filenames -> commands
* src/MACHDYN/README
* doc/PDF/MACHDYN_LAMMPS_userguide.pdf
* examples/PACKAGES/machdyn
* https://www.lammps.org/movies.html#smd
----------
@ -2515,7 +2515,7 @@ USER-SPH package
An atom style, fixes, computes, and several pair styles which
implements smoothed particle hydrodynamics (SPH) for liquids. See the
related :ref:`USER-SMD package <PKG-USER-SMD>` package for smooth Mach dynamics
related :ref:`MACHDYN package <PKG-MACHDYN>` package for smooth Mach dynamics
(SMD) for solids.
This package contains ideal gas, Lennard-Jones equation of states,

View File

@ -113,7 +113,7 @@ package:
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
| :ref:`USER-SDPD <PKG-USER-SDPD>` | smoothed dissipative particle dynamics | :doc:`pair_style sdpd/taitwater/isothermal <pair_sdpd_taitwater_isothermal>` | USER/sdpd | no |
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
| :ref:`USER-SMD <PKG-USER-SMD>` | smoothed Mach dynamics | `SMD User Guide <PDF/SMD_LAMMPS_userguide.pdf>`_ | USER/smd | ext |
| :ref:`MACHDYN <PKG-MACHDYN>` | smoothed Mach dynamics | `SMD User Guide <PDF/SMD_LAMMPS_userguide.pdf>`_ | USER/smd | ext |
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
| :ref:`USER-SMTBQ <PKG-USER-SMTBQ>` | second moment tight binding QEq potential | :doc:`pair_style smtbq <pair_smtbq>` | USER/smtbq | no |
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+

View File

@ -968,13 +968,13 @@ smd tool
The smd sub-directory contains a C++ file dump2vtk_tris.cpp and
Makefile which can be compiled and used to convert triangle output
files created by the Smooth-Mach Dynamics (USER-SMD) package into a
files created by the Smooth-Mach Dynamics (MACHDYN) package into a
VTK-compatible unstructured grid file. It could then be read in and
visualized by VTK.
See the header of dump2vtk.cpp for more details.
This tool was written by the USER-SMD package author, Georg
This tool was written by the MACHDYN package author, Georg
Ganzenmuller at the Fraunhofer-Institute for High-Speed Dynamics,
Ernst Mach Institute in Germany (georg.ganzenmueller at emi.fhg.de).

View File

@ -48,7 +48,7 @@ The per-particle vector values will be in distance :doc:`units <units>`.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

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@ -40,7 +40,7 @@ The per-particle values are dimensionless an in the range of zero to one.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the "Build
Related commands

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@ -50,7 +50,7 @@ The per-particle vector values will are dimensionless. See
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
This quantity will be computed only for particles which interact with

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@ -42,7 +42,7 @@ The per-particle vector values will be given in :doc:`units <units>` of energy.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info. This compute can
only be used for particles which interact via the updated Lagrangian
or total Lagrangian SPH pair styles.

View File

@ -42,7 +42,7 @@ The per-particle values will be given dimensionless. See :doc:`units <units>`.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info. This compute can
only be used for particles which interact via the updated Lagrangian
or total Lagrangian SPH pair styles.

View File

@ -42,7 +42,7 @@ The per-particle values will be given in :doc:`units <units>` of one over time.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info. This compute can
only be used for particles which interact via the updated Lagrangian
or total Lagrangian SPH pair styles.

View File

@ -44,7 +44,7 @@ The per-particle values will be in :doc:`units <units>` of mass over volume.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

View File

@ -47,7 +47,7 @@ entry is the determinant of the deformation gradient.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info. TThis compute can
only be used for particles which interact via the total Lagrangian SPH
pair style.

View File

@ -48,7 +48,7 @@ The per-particle values will be given in :doc:`units <units>` of time.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
This compute can only be used for particles interacting with the

View File

@ -43,7 +43,7 @@ The per-particle values are dimensionless. See :doc:`units <units>`.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
This quantity will be computed only for particles which interact with

View File

@ -50,7 +50,7 @@ particle relative to its initial state.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
This quantity will be computed only for particles which interact with

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@ -46,7 +46,7 @@ zz, xy, xz, yz components of the symmetric strain tensor.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
This quantity will be computed only for particles which interact with

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@ -45,7 +45,7 @@ zz, xy, xz, yz components of the symmetric strain rate tensor.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
This quantity will be computed only for particles which interact with

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@ -47,7 +47,7 @@ invariant of the stress tensor, i.e., the von Mises equivalent stress.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
This quantity will be computed only for particles which interact with

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@ -53,7 +53,7 @@ The values will be given in :doc:`units <units>` of distance.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

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@ -44,7 +44,7 @@ style.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info. This compute can
only be used for particles which interact with the updated Lagrangian
SPH pair style.

View File

@ -43,7 +43,7 @@ The per-particle values will be given dimensionless, see :doc:`units <units>`.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info. This compute can
only be used for particles which interact with the updated Lagrangian
SPH pair style.

View File

@ -46,7 +46,7 @@ The per-particle tensor values will be given dimensionless, see
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info. This compute can
only be used for particles which interact with the updated Lagrangian
SPH pair style.

View File

@ -46,7 +46,7 @@ zz, xy, xz, yz components of the symmetric strain rate tensor.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
This compute can only be used for particles which interact with the

View File

@ -46,7 +46,7 @@ stress tensor, i.e., the von Mises equivalent stress.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info. This compute can
only be used for particles which interact with the updated Lagrangian
SPH pair style.

View File

@ -46,7 +46,7 @@ per-particle volumes of the group for which the fix is defined.
Restrictions
""""""""""""
This compute is part of the USER-SMD package. It is only enabled if
This compute is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

View File

@ -49,12 +49,12 @@ Dynamics in LAMMPS.
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
Currently, no part of USER-SMD supports restarting nor minimization.
Currently, no part of MACHDYN supports restarting nor minimization.
Restrictions
""""""""""""
This fix is part of the USER-SMD package. It is only enabled if
This fix is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

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@ -44,13 +44,13 @@ velocity limit.
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
Currently, no part of USER-SMD supports restarting nor
Currently, no part of MACHDYN supports restarting nor
minimization. This fix has no outputs.
Restrictions
""""""""""""
This fix is part of the USER-SMD package. It is only enabled if
This fix is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

View File

@ -52,13 +52,13 @@ the velocity vector to max_vel in case it exceeds this velocity limit.
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
Currently, no part of USER-SMD supports restarting nor
Currently, no part of MACHDYN supports restarting nor
minimization. This fix has no outputs.
Restrictions
""""""""""""
This fix is part of the USER-SMD package. It is only enabled if
This fix is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

View File

@ -66,13 +66,13 @@ Dynamics in LAMMPS.
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
Currently, no part of USER-SMD supports restarting nor
Currently, no part of MACHDYN supports restarting nor
minimization. This fix has no outputs.
Restrictions
""""""""""""
This fix is part of the USER-SMD package. It is only enabled if
This fix is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

View File

@ -66,7 +66,7 @@ specified geometric :doc:`region <region>` in order to have its velocity set by
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
Currently, no part of USER-SMD supports restarting nor minimization
Currently, no part of MACHDYN supports restarting nor minimization
None of the :doc:`fix_modify <fix_modify>` options
are relevant to this fix.
@ -81,7 +81,7 @@ the :doc:`run <run>` command.
Restrictions
""""""""""""
This fix is part of the USER-SMD package. It is only enabled if
This fix is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

View File

@ -44,7 +44,7 @@ is possible to move the triangulated surface via the
Immediately after a .STL file has been read, the simulation needs to
be run for 0 timesteps in order to properly register the new particles
in the system. See the "funnel_flow" example in the USER-SMD examples
in the system. See the "funnel_flow" example in the MACHDYN examples
directory.
See `this PDF guide <PDF/SMD_LAMMPS_userguide.pdf>`_ to use Smooth Mach
@ -53,13 +53,13 @@ Dynamics in LAMMPS.
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
Currently, no part of USER-SMD supports restarting nor
Currently, no part of MACHDYN supports restarting nor
minimization. This fix has no outputs.
Restrictions
""""""""""""
This fix is part of the USER-SMD package. It is only enabled if
This fix is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
The molecule ID given to the particles created by this fix have to be

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@ -41,7 +41,7 @@ approach each other. Usually, *scale_factor* =1.0.
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
No mixing is performed automatically. Currently, no part of USER-SMD
No mixing is performed automatically. Currently, no part of MACHDYN
supports restarting nor minimization. rRESPA does not apply to this
pair style.
@ -50,7 +50,7 @@ pair style.
Restrictions
""""""""""""
This fix is part of the USER-SMD package. It is only enabled if
This fix is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

View File

@ -56,7 +56,7 @@ complete listing of the possible keywords and material models.
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
No mixing is performed automatically. Currently, no part of USER-SMD
No mixing is performed automatically. Currently, no part of MACHDYN
supports restarting nor minimization. rRESPA does not apply to this
pair style.
@ -65,7 +65,7 @@ pair style.
Restrictions
""""""""""""
This fix is part of the USER-SMD package. It is only enabled if
This fix is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

View File

@ -43,7 +43,7 @@ Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
No mixing is performed automatically.
Currently, no part of USER-SMD supports restarting nor minimization.
Currently, no part of MACHDYN supports restarting nor minimization.
rRESPA does not apply to this pair style.
----------
@ -51,7 +51,7 @@ rRESPA does not apply to this pair style.
Restrictions
""""""""""""
This fix is part of the USER-SMD package. It is only enabled if
This fix is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

View File

@ -67,7 +67,7 @@ complete listing of the possible keywords and material models.
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
No mixing is performed automatically. Currently, no part of USER-SMD
No mixing is performed automatically. Currently, no part of MACHDYN
supports restarting nor minimization. rRESPA does not apply to this
pair style.
@ -76,7 +76,7 @@ pair style.
Restrictions
""""""""""""
This fix is part of the USER-SMD package. It is only enabled if
This fix is part of the MACHDYN package. It is only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

View File

@ -446,12 +446,12 @@ to using SPH in LAMMPS.
Keyword *smd/mass/density* sets the mass of all selected particles,
but it is only applicable to the Smooth Mach Dynamics package
USER-SMD. It assumes that the particle volume has already been
MACHDYN. It assumes that the particle volume has already been
correctly set and calculates particle mass from the provided mass
density value.
Keyword *smd/contact/radius* only applies to simulations with the
Smooth Mach Dynamics package USER-SMD. Itsets an interaction radius
Smooth Mach Dynamics package MACHDYN. Itsets an interaction radius
for computing short-range interactions, e.g. repulsive forces to
prevent different individual physical bodies from penetrating each
other. Note that the SPH smoothing kernel diameter used for computing

View File

@ -53,7 +53,7 @@ qmmm quantum mechanics/molecular mechanics coupling interface
from Axel Kohlmeyer (Temple U)
quip interface to QUIP/libAtoms framework, ML-QUIP package
from Albert Bartok-Partay and Gabor Csanyi (U Cambridge)
smd hooks to Eigen library, used by USER-SMD package
machdyn hooks to Eigen library, used by MACHDYN package
from Georg Ganzenmueller (Ernst Mach Institute, Germany)
voronoi hooks to the Voro++ library, used by compute voronoi/atom command
from Daniel Schwen (LANL)

View File

@ -0,0 +1,5 @@
# Settings that the LAMMPS build will import when this package library is used
machdyn_SYSINC = -I../../lib/includelink/eigen3
machdyn_SYSLIB =
machdyn_SYSPATH =

View File

@ -1,5 +1,5 @@
This directory contains links to the Eigen library which is required
to use the USER-SMD package in a LAMMPS input script.
to use the MACHDYN package in a LAMMPS input script.
The Eigen library is available at http://eigen.tuxfamily.org. It's
a general C++ template library for linear algebra.
@ -26,10 +26,10 @@ Instructions:
% ln -s /home/sjplimp/tools/eigen includelink
When these steps are complete you can build LAMMPS
with the USER-SMD package installed:
with the MACHDYN package installed:
% cd lammps/src
% make yes-user-smd
% make yes-machdyn
% make g++ (or whatever target you wish)
Note that if you download and unpack a new LAMMPS tarball, the

View File

@ -1,5 +0,0 @@
# Settings that the LAMMPS build will import when this package library is used
user-smd_SYSINC = -I../../lib/includelink/eigen3
user-smd_SYSLIB =
user-smd_SYSPATH =

View File

@ -37,29 +37,29 @@ done
if (test $1 = 1) then
if (test -e ../Makefile.package) then
sed -i -e 's/[^ \t]*smd[^ \t]* //g' ../Makefile.package
sed -i -e 's|^PKG_INC =[ \t]*|&-I..\/..\/lib\/smd/includelink |' ../Makefile.package
sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(user-smd_SYSINC) |' ../Makefile.package
sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(user-smd_SYSLIB) |' ../Makefile.package
sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(user-smd_SYSPATH) |' ../Makefile.package
sed -i -e 's/[^ \t]*machdyn[^ \t]* //g' ../Makefile.package
sed -i -e 's|^PKG_INC =[ \t]*|&-I..\/..\/lib\/machdyn/includelink |' ../Makefile.package
sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(machdyn_SYSINC) |' ../Makefile.package
sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(machdyn_SYSLIB) |' ../Makefile.package
sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(machdyn_SYSPATH) |' ../Makefile.package
fi
if (test -e ../Makefile.package.settings) then
sed -i -e '/^include.*smd.*$/d' ../Makefile.package.settings
sed -i -e '/^include.*machdyn.*$/d' ../Makefile.package.settings
# multiline form needed for BSD sed on Macs
sed -i -e '4 i \
include ..\/..\/lib\/smd\/Makefile.lammps
include ..\/..\/lib\/machdyn\/Makefile.lammps
' ../Makefile.package.settings
fi
elif (test $1 = 0) then
if (test -e ../Makefile.package) then
sed -i -e 's/[^ \t]*smd[^ \t]* //g' ../Makefile.package
sed -i -e 's/[^ \t]*machdyn[^ \t]* //g' ../Makefile.package
fi
if (test -e ../Makefile.package.settings) then
sed -i -e '/^include.*smd.*$/d' ../Makefile.package.settings
sed -i -e '/^include.*machdyn.*$/d' ../Makefile.package.settings
fi
fi

View File

@ -19,7 +19,7 @@ from *.STL files.
See the file doc/PDF/SMD_LAMMPS_userguide.pdf to get started.
There are example scripts for using this package in examples/PACKAGES/smd.
There are example scripts for using this package in examples/PACKAGES/machdyn.
The person who created this package is Georg Ganzenmuller at the
Fraunhofer-Institute for High-Speed Dynamics, Ernst Mach Institute in
Germany (georg.ganzenmueller at emi.fhg.de). Contact him directly if

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* This file is part of the MACHDYN package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

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