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-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-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 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) 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) set(SUFFIX_PACKAGES CORESHELL GPU KOKKOS OPT USER-INTEL USER-OMP)
@ -351,7 +351,7 @@ else()
endif() endif()
foreach(PKG_WITH_INCL KSPACE PYTHON ML-IAP VORONOI USER-COLVARS ML-HDNNP USER-MDI USER-MOLFILE USER-NETCDF 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_${PKG_WITH_INCL}) if(PKG_${PKG_WITH_INCL})
include(Packages/${PKG_WITH_INCL}) include(Packages/${PKG_WITH_INCL})
endif() 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 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 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 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) USER-TALLY USER-UEF USER-VTK USER-YAFF USER-DIELECTRIC)
foreach(PKG ${ALL_PACKAGES}) 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 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 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 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) USER-TALLY USER-UEF USER-VTK USER-YAFF USER-DIELECTRIC)
foreach(PKG ${ALL_PACKAGES}) foreach(PKG ${ALL_PACKAGES})

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@ -1,7 +1,7 @@
# Preset that turns on packages with automatic downloads of sources or potentials. # 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. # 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}) foreach(PKG ${ALL_PACKAGES})
set(PKG_${PKG} ON CACHE BOOL "" FORCE) 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 ML-HDNNP USER-INTEL USER-MANIFOLD USER-MDI MEAM USER-MESODPD
USER-MESONT USER-MISC USER-MGPT USER-MOFFF USER-MOLFILE USER-OMP USER-MESONT USER-MISC USER-MGPT USER-MOFFF USER-MOLFILE USER-OMP
USER-PHONON USER-PTM USER-QTB USER-REACTION USER-REAXC 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) USER-YAFF USER-DIELECTRIC)
foreach(PKG ${WIN_PACKAGES}) 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-BROWNIAN USER-BOCS CG-DNA CG-SDK USER-COLVARS
USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP MEAM USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP MEAM
USER-MESODPD USER-MISC USER-MOFFF USER-OMP USER-PHONON USER-REACTION 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}) foreach(PKG ${ALL_PACKAGES})
set(PKG_${PKG} ON CACHE BOOL "" FORCE) 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 PYTHON VORONOI
USER-ADIOS USER-ATC USER-AWPMD USER-H5MD ML-HDNNP LATBOLTZ USER-MOLFILE 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-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}) foreach(PKG ${PACKAGES_WITH_LIB})
set(PKG_${PKG} OFF CACHE BOOL "" FORCE) set(PKG_${PKG} OFF CACHE BOOL "" FORCE)

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

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@ -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:`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 The mechanism for including packages is simple but different for CMake

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@ -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 * Metin Aktulga (MSU), USER-REAXC package for C version of ReaxFF
* Mike Brown (Intel), GPU and USER-INTEL packages * Mike Brown (Intel), GPU and USER-INTEL packages
* Colin Denniston (U Western Ontario), LATBOLTZ package * 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 * Andres Jaramillo-Botero (Caltech), USER-EFF package for electron force field
* Reese Jones (Sandia) and colleagues, USER-ATC package for atom/continuum coupling * 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 * Christoph Kloss (DCS Computing), LIGGGHTS code for granular materials, built on top of LAMMPS

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

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@ -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-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 | | :ref:`USER-SMTBQ <PKG-USER-SMTBQ>` | second moment tight binding QEq potential | :doc:`pair_style smtbq <pair_smtbq>` | USER/smtbq | no |
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+ +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+

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

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@ -48,7 +48,7 @@ The per-particle vector values will be in distance :doc:`units <units>`.
Restrictions 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands 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 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 LAMMPS was built with that package. See the "Build
Related commands Related commands

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@ -50,7 +50,7 @@ The per-particle vector values will are dimensionless. See
Restrictions 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. 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 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 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 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 only be used for particles which interact via the updated Lagrangian
or total Lagrangian SPH pair styles. or total Lagrangian SPH pair styles.

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@ -42,7 +42,7 @@ The per-particle values will be given dimensionless. See :doc:`units <units>`.
Restrictions 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 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 only be used for particles which interact via the updated Lagrangian
or total Lagrangian SPH pair styles. or total Lagrangian SPH pair styles.

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@ -42,7 +42,7 @@ The per-particle values will be given in :doc:`units <units>` of one over time.
Restrictions 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 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 only be used for particles which interact via the updated Lagrangian
or total Lagrangian SPH pair styles. or total Lagrangian SPH pair styles.

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@ -44,7 +44,7 @@ The per-particle values will be in :doc:`units <units>` of mass over volume.
Restrictions 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands Related commands

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@ -47,7 +47,7 @@ entry is the determinant of the deformation gradient.
Restrictions 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 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 only be used for particles which interact via the total Lagrangian SPH
pair style. pair style.

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@ -48,7 +48,7 @@ The per-particle values will be given in :doc:`units <units>` of time.
Restrictions 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. 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 This compute can only be used for particles interacting with the

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@ -43,7 +43,7 @@ The per-particle values are dimensionless. See :doc:`units <units>`.
Restrictions 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. 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 This quantity will be computed only for particles which interact with

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@ -50,7 +50,7 @@ particle relative to its initial state.
Restrictions 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. 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 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 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. 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 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 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. 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 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 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. 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 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 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands Related commands

View File

@ -44,7 +44,7 @@ style.
Restrictions 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 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 only be used for particles which interact with the updated Lagrangian
SPH pair style. SPH pair style.

View File

@ -43,7 +43,7 @@ The per-particle values will be given dimensionless, see :doc:`units <units>`.
Restrictions 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 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 only be used for particles which interact with the updated Lagrangian
SPH pair style. SPH pair style.

View File

@ -46,7 +46,7 @@ The per-particle tensor values will be given dimensionless, see
Restrictions 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 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 only be used for particles which interact with the updated Lagrangian
SPH pair style. SPH pair style.

View File

@ -46,7 +46,7 @@ zz, xy, xz, yz components of the symmetric strain rate tensor.
Restrictions 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. 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 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 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 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 only be used for particles which interact with the updated Lagrangian
SPH pair style. SPH pair style.

View File

@ -46,7 +46,7 @@ per-particle volumes of the group for which the fix is defined.
Restrictions 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands Related commands

View File

@ -49,12 +49,12 @@ Dynamics in LAMMPS.
Restart, fix_modify, output, run start/stop, minimize info 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 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands Related commands

View File

@ -44,13 +44,13 @@ velocity limit.
Restart, fix_modify, output, run start/stop, minimize info 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. minimization. This fix has no outputs.
Restrictions 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands 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 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. minimization. This fix has no outputs.
Restrictions 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands Related commands

View File

@ -66,13 +66,13 @@ Dynamics in LAMMPS.
Restart, fix_modify, output, run start/stop, minimize info 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. minimization. This fix has no outputs.
Restrictions 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands 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 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 None of the :doc:`fix_modify <fix_modify>` options
are relevant to this fix. are relevant to this fix.
@ -81,7 +81,7 @@ the :doc:`run <run>` command.
Restrictions 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands 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 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 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. directory.
See `this PDF guide <PDF/SMD_LAMMPS_userguide.pdf>`_ to use Smooth Mach 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 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. minimization. This fix has no outputs.
Restrictions 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. 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 The molecule ID given to the particles created by this fix have to be

View File

@ -41,7 +41,7 @@ approach each other. Usually, *scale_factor* =1.0.
Mixing, shift, table, tail correction, restart, rRESPA info 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 supports restarting nor minimization. rRESPA does not apply to this
pair style. pair style.
@ -50,7 +50,7 @@ pair style.
Restrictions 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands 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 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 supports restarting nor minimization. rRESPA does not apply to this
pair style. pair style.
@ -65,7 +65,7 @@ pair style.
Restrictions 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands Related commands

View File

@ -43,7 +43,7 @@ Mixing, shift, table, tail correction, restart, rRESPA info
""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" """""""""""""""""""""""""""""""""""""""""""""""""""""""""""
No mixing is performed automatically. 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. rRESPA does not apply to this pair style.
---------- ----------
@ -51,7 +51,7 @@ rRESPA does not apply to this pair style.
Restrictions 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands 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 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 supports restarting nor minimization. rRESPA does not apply to this
pair style. pair style.
@ -76,7 +76,7 @@ pair style.
Restrictions 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. LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands Related commands

View File

@ -446,12 +446,12 @@ to using SPH in LAMMPS.
Keyword *smd/mass/density* sets the mass of all selected particles, Keyword *smd/mass/density* sets the mass of all selected particles,
but it is only applicable to the Smooth Mach Dynamics package 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 correctly set and calculates particle mass from the provided mass
density value. density value.
Keyword *smd/contact/radius* only applies to simulations with the 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 for computing short-range interactions, e.g. repulsive forces to
prevent different individual physical bodies from penetrating each prevent different individual physical bodies from penetrating each
other. Note that the SPH smoothing kernel diameter used for computing 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) from Axel Kohlmeyer (Temple U)
quip interface to QUIP/libAtoms framework, ML-QUIP package quip interface to QUIP/libAtoms framework, ML-QUIP package
from Albert Bartok-Partay and Gabor Csanyi (U Cambridge) 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) from Georg Ganzenmueller (Ernst Mach Institute, Germany)
voronoi hooks to the Voro++ library, used by compute voronoi/atom command voronoi hooks to the Voro++ library, used by compute voronoi/atom command
from Daniel Schwen (LANL) 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 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 The Eigen library is available at http://eigen.tuxfamily.org. It's
a general C++ template library for linear algebra. a general C++ template library for linear algebra.
@ -26,10 +26,10 @@ Instructions:
% ln -s /home/sjplimp/tools/eigen includelink % ln -s /home/sjplimp/tools/eigen includelink
When these steps are complete you can build LAMMPS When these steps are complete you can build LAMMPS
with the USER-SMD package installed: with the MACHDYN package installed:
% cd lammps/src % cd lammps/src
% make yes-user-smd % make yes-machdyn
% make g++ (or whatever target you wish) % make g++ (or whatever target you wish)
Note that if you download and unpack a new LAMMPS tarball, the 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 $1 = 1) then
if (test -e ../Makefile.package) then if (test -e ../Makefile.package) then
sed -i -e 's/[^ \t]*smd[^ \t]* //g' ../Makefile.package sed -i -e 's/[^ \t]*machdyn[^ \t]* //g' ../Makefile.package
sed -i -e 's|^PKG_INC =[ \t]*|&-I..\/..\/lib\/smd/includelink |' ../Makefile.package sed -i -e 's|^PKG_INC =[ \t]*|&-I..\/..\/lib\/machdyn/includelink |' ../Makefile.package
sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(user-smd_SYSINC) |' ../Makefile.package sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(machdyn_SYSINC) |' ../Makefile.package
sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(user-smd_SYSLIB) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(machdyn_SYSLIB) |' ../Makefile.package
sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(user-smd_SYSPATH) |' ../Makefile.package sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(machdyn_SYSPATH) |' ../Makefile.package
fi fi
if (test -e ../Makefile.package.settings) then if (test -e ../Makefile.package.settings) then
sed -i -e '/^include.*smd.*$/d' ../Makefile.package.settings sed -i -e '/^include.*machdyn.*$/d' ../Makefile.package.settings
# multiline form needed for BSD sed on Macs # multiline form needed for BSD sed on Macs
sed -i -e '4 i \ sed -i -e '4 i \
include ..\/..\/lib\/smd\/Makefile.lammps include ..\/..\/lib\/machdyn\/Makefile.lammps
' ../Makefile.package.settings ' ../Makefile.package.settings
fi fi
elif (test $1 = 0) then elif (test $1 = 0) then
if (test -e ../Makefile.package) then if (test -e ../Makefile.package) then
sed -i -e 's/[^ \t]*smd[^ \t]* //g' ../Makefile.package sed -i -e 's/[^ \t]*machdyn[^ \t]* //g' ../Makefile.package
fi fi
if (test -e ../Makefile.package.settings) then if (test -e ../Makefile.package.settings) then
sed -i -e '/^include.*smd.*$/d' ../Makefile.package.settings sed -i -e '/^include.*machdyn.*$/d' ../Makefile.package.settings
fi fi
fi fi

View File

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

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -3,7 +3,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

View File

@ -2,7 +2,7 @@
* *
* *** Smooth Mach Dynamics *** * *** 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 * Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI, * Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany. * Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.

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