rename USER-LB to LATBOLTZ
This commit is contained in:
@ -143,7 +143,7 @@ set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE
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PLUGIN QEQ REPLICA RIGID SHOCK SPIN ML-SNAP SRD KIM PYTHON MSCG MPIIO VORONOI
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PLUGIN QEQ REPLICA RIGID SHOCK SPIN ML-SNAP SRD KIM PYTHON MSCG MPIIO VORONOI
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USER-ADIOS USER-ATC USER-AWPMD USER-BOCS CG-DNA USER-MESODPD CG-SDK
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USER-ADIOS USER-ATC USER-AWPMD USER-BOCS CG-DNA USER-MESODPD CG-SDK
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USER-COLVARS USER-DIELECTRIC USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP
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USER-COLVARS USER-DIELECTRIC USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP
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USER-H5MD ML-HDNNP USER-LB USER-MANIFOLD USER-MDI MEAM USER-MESONT USER-MGPT
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USER-H5MD ML-HDNNP LATBOLTZ USER-MANIFOLD USER-MDI MEAM USER-MESONT USER-MGPT
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USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-PHONON USER-PLUMED USER-PTM USER-QTB
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USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-PHONON USER-PLUMED USER-PTM USER-QTB
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ML-RANN USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
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ML-RANN USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
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USER-TALLY USER-UEF USER-VTK ML-QUIP USER-QMMM USER-YAFF ML-PACE USER-BROWNIAN)
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USER-TALLY USER-UEF USER-VTK ML-QUIP USER-QMMM USER-YAFF ML-PACE USER-BROWNIAN)
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@ -232,7 +232,7 @@ endif()
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pkg_depends(ML-IAP ML-SNAP)
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pkg_depends(ML-IAP ML-SNAP)
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pkg_depends(MPIIO MPI)
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pkg_depends(MPIIO MPI)
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pkg_depends(USER-ATC MANYBODY)
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pkg_depends(USER-ATC MANYBODY)
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pkg_depends(USER-LB MPI)
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pkg_depends(LATBOLTZ MPI)
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pkg_depends(USER-PHONON KSPACE)
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pkg_depends(USER-PHONON KSPACE)
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pkg_depends(USER-SCAFACOS MPI)
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pkg_depends(USER-SCAFACOS MPI)
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pkg_depends(USER-DIELECTRIC KSPACE)
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pkg_depends(USER-DIELECTRIC KSPACE)
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@ -7,7 +7,7 @@ set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
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SRD VORONOI
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SRD VORONOI
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USER-ADIOS USER-ATC USER-AWPMD USER-BROWNIAN USER-BOCS CG-DNA CG-SDK
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USER-ADIOS USER-ATC USER-AWPMD USER-BROWNIAN USER-BOCS CG-DNA CG-SDK
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USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
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USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
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ML-HDNNP USER-INTEL USER-LB USER-MANIFOLD USER-MDI MEAM USER-MESODPD
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ML-HDNNP USER-INTEL LATBOLTZ USER-MANIFOLD USER-MDI MEAM USER-MESODPD
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USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP
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USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP
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ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP ML-RANN
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ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP ML-RANN
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USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
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USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
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@ -9,7 +9,7 @@ set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
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SRD VORONOI
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SRD VORONOI
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USER-ADIOS USER-ATC USER-AWPMD USER-BROWNIAN USER-BOCS CG-DNA CG-SDK
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USER-ADIOS USER-ATC USER-AWPMD USER-BROWNIAN USER-BOCS CG-DNA CG-SDK
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USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
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USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
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ML-HDNNP USER-INTEL USER-LB USER-MANIFOLD USER-MDI MEAM USER-MESODPD
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ML-HDNNP USER-INTEL LATBOLTZ USER-MANIFOLD USER-MDI MEAM USER-MESODPD
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USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP
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USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP
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ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP ML-RANN
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ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP ML-RANN
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USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
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USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
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@ -16,7 +16,7 @@ endforeach()
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# these two packages require a full MPI implementation
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# these two packages require a full MPI implementation
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if(BUILD_MPI)
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if(BUILD_MPI)
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set(PKG_MPIIO ON CACHE BOOL "" FORCE)
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set(PKG_MPIIO ON CACHE BOOL "" FORCE)
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set(PKG_USER-LB ON CACHE BOOL "" FORCE)
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set(PKG_LATBOLTZ ON CACHE BOOL "" FORCE)
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endif()
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endif()
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|
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set(DOWNLOAD_VORO ON CACHE BOOL "" FORCE)
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set(DOWNLOAD_VORO ON CACHE BOOL "" FORCE)
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@ -3,7 +3,7 @@
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|
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set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MESSAGE MPIIO MSCG
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set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MESSAGE MPIIO MSCG
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PYTHON VORONOI
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PYTHON VORONOI
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USER-ADIOS USER-ATC USER-AWPMD USER-H5MD ML-HDNNP USER-LB USER-MOLFILE
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USER-ADIOS USER-ATC USER-AWPMD USER-H5MD ML-HDNNP LATBOLTZ USER-MOLFILE
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USER-MESONT USER-MDI USER-NETCDF ML-PACE USER-PLUMED USER-QMMM ML-QUIP
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USER-MESONT USER-MDI USER-NETCDF ML-PACE USER-PLUMED USER-QMMM ML-QUIP
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USER-SCAFACOS USER-SMD USER-VTK)
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USER-SCAFACOS USER-SMD USER-VTK)
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|
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@ -90,7 +90,7 @@ standard. A more detailed discussion of that is below.
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directory, or ``make`` from the ``src/STUBS`` dir. If the build
|
directory, or ``make`` from the ``src/STUBS`` dir. If the build
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fails, you may need to edit the ``STUBS/Makefile`` for your
|
fails, you may need to edit the ``STUBS/Makefile`` for your
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platform. The stubs library does not provide MPI/IO functions
|
platform. The stubs library does not provide MPI/IO functions
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required by some LAMMPS packages, e.g. ``MPIIO`` or ``USER-LB``,
|
required by some LAMMPS packages, e.g. ``MPIIO`` or ``LATBOLTZ``,
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and thus is not compatible with those packages.
|
and thus is not compatible with those packages.
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|
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.. note::
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.. note::
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@ -20,7 +20,7 @@ The LAMMPS binaries contain *all* :doc:`optional packages <Packages>`
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included in the source distribution except: KIM, KOKKOS, MSCG, PYTHON,
|
included in the source distribution except: KIM, KOKKOS, MSCG, PYTHON,
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USER-ADIOS, USER-H5MD, USER-NETCDF, USER-QMMM, ML-QUIP, and USER-VTK.
|
USER-ADIOS, USER-H5MD, USER-NETCDF, USER-QMMM, ML-QUIP, and USER-VTK.
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The serial version also does not include the MPIIO and
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The serial version also does not include the MPIIO and
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USER-LB packages. The GPU package is compiled for OpenCL with
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LATBOLTZ packages. The GPU package is compiled for OpenCL with
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mixed precision kernels.
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mixed precision kernels.
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|
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The LAMMPS library is compiled as a shared library and the
|
The LAMMPS library is compiled as a shared library and the
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@ -31,7 +31,7 @@ general-purpose as it is without their expertise and efforts.
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|
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* Metin Aktulga (MSU), USER-REAXC package for C version of ReaxFF
|
* Metin Aktulga (MSU), USER-REAXC package for C version of ReaxFF
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* Mike Brown (Intel), GPU and USER-INTEL packages
|
* Mike Brown (Intel), GPU and USER-INTEL packages
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* Colin Denniston (U Western Ontario), USER-LB package
|
* Colin Denniston (U Western Ontario), LATBOLTZ package
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* Georg Ganzenmuller (EMI), USER-SMD and USER-SPH packages
|
* Georg Ganzenmuller (EMI), USER-SMD and USER-SPH packages
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* Andres Jaramillo-Botero (Caltech), USER-EFF package for electron force field
|
* Andres Jaramillo-Botero (Caltech), USER-EFF package for electron force field
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* Reese Jones (Sandia) and colleagues, USER-ATC package for atom/continuum coupling
|
* Reese Jones (Sandia) and colleagues, USER-ATC package for atom/continuum coupling
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@ -82,7 +82,7 @@ page gives those details.
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* :ref:`USER-H5MD <PKG-USER-H5MD>`
|
* :ref:`USER-H5MD <PKG-USER-H5MD>`
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* :ref:`ML-HDNNP <PKG-ML-HDNNP>`
|
* :ref:`ML-HDNNP <PKG-ML-HDNNP>`
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* :ref:`USER-INTEL <PKG-USER-INTEL>`
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* :ref:`USER-INTEL <PKG-USER-INTEL>`
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* :ref:`USER-LB <PKG-USER-LB>`
|
* :ref:`LATBOLTZ <PKG-LATBOLTZ>`
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* :ref:`USER-MANIFOLD <PKG-USER-MANIFOLD>`
|
* :ref:`USER-MANIFOLD <PKG-USER-MANIFOLD>`
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* :ref:`USER-MDI <PKG-USER-MDI>`
|
* :ref:`USER-MDI <PKG-USER-MDI>`
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* :ref:`MEAM <PKG-MEAM>`
|
* :ref:`MEAM <PKG-MEAM>`
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@ -1676,9 +1676,9 @@ This package has :ref:`specific installation instructions <user-intel>` on the :
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|
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----------
|
----------
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|
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.. _PKG-USER-LB:
|
.. _PKG-LATBOLTZ:
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|
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USER-LB package
|
LATBOLTZ package
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||||||
---------------
|
---------------
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||||||
|
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**Contents:**
|
**Contents:**
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@ -1691,12 +1691,12 @@ Ontario).
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|||||||
|
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**Supporting info:**
|
**Supporting info:**
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|
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* src/USER-LB: filenames -> commands
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* src/LATBOLTZ: filenames -> commands
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* src/USER-LB/README
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* src/LATBOLTZ/README
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* :doc:`fix lb/fluid <fix_lb_fluid>`
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* :doc:`fix lb/fluid <fix_lb_fluid>`
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* :doc:`fix lb/momentum <fix_lb_momentum>`
|
* :doc:`fix lb/momentum <fix_lb_momentum>`
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* :doc:`fix lb/viscous <fix_lb_viscous>`
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* :doc:`fix lb/viscous <fix_lb_viscous>`
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* examples/PACKAGES/lb
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* examples/PACKAGES/latboltz
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|
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----------
|
----------
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|
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@ -65,7 +65,7 @@ package:
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+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
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| :ref:`USER-INTEL <PKG-USER-INTEL>` | optimized Intel CPU and KNL styles | :doc:`Speed intel <Speed_intel>` | `Benchmarks <https://www.lammps.org/bench.html>`_ | no |
|
| :ref:`USER-INTEL <PKG-USER-INTEL>` | optimized Intel CPU and KNL styles | :doc:`Speed intel <Speed_intel>` | `Benchmarks <https://www.lammps.org/bench.html>`_ | no |
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||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`USER-LB <PKG-USER-LB>` | Lattice Boltzmann fluid | :doc:`fix lb/fluid <fix_lb_fluid>` | USER/lb | no |
|
| :ref:`LATBOLTZ <PKG-LATBOLTZ>` | Lattice Boltzmann fluid | :doc:`fix lb/fluid <fix_lb_fluid>` | USER/lb | no |
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`USER-MANIFOLD <PKG-USER-MANIFOLD>` | motion on 2d surfaces | :doc:`fix manifoldforce <fix_manifoldforce>` | USER/manifold | no |
|
| :ref:`USER-MANIFOLD <PKG-USER-MANIFOLD>` | motion on 2d surfaces | :doc:`fix manifoldforce <fix_manifoldforce>` | USER/manifold | no |
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
||||||
|
|||||||
@ -341,7 +341,7 @@ of this fix can be used with the *start/stop* keywords of the
|
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Restrictions
|
Restrictions
|
||||||
""""""""""""
|
""""""""""""
|
||||||
|
|
||||||
This fix is part of the USER-LB package. It is only enabled if LAMMPS
|
This fix is part of the LATBOLTZ package. It is only enabled if LAMMPS
|
||||||
was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
||||||
|
|
||||||
This fix can only be used with an orthogonal simulation domain.
|
This fix can only be used with an orthogonal simulation domain.
|
||||||
|
|||||||
@ -66,7 +66,7 @@ Can only be used if a lattice-Boltzmann fluid has been created via the
|
|||||||
:doc:`fix lb/fluid <fix_lb_fluid>` command, and must come after this
|
:doc:`fix lb/fluid <fix_lb_fluid>` command, and must come after this
|
||||||
command.
|
command.
|
||||||
|
|
||||||
This fix is part of the USER-LB package. It is only enabled if LAMMPS
|
This fix is part of the LATBOLTZ package. It is only enabled if LAMMPS
|
||||||
was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
||||||
|
|
||||||
Related commands
|
Related commands
|
||||||
|
|||||||
@ -41,7 +41,7 @@ the :doc:`run <run>` command. This fix is not invoked during :doc:`energy minim
|
|||||||
Restrictions
|
Restrictions
|
||||||
""""""""""""
|
""""""""""""
|
||||||
|
|
||||||
This fix is part of the USER-LB package. It is only enabled if LAMMPS
|
This fix is part of the LATBOLTZ package. It is only enabled if LAMMPS
|
||||||
was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
||||||
|
|
||||||
Can only be used if a lattice-Boltzmann fluid has been created via the
|
Can only be used if a lattice-Boltzmann fluid has been created via the
|
||||||
|
|||||||
@ -139,7 +139,7 @@ of the :doc:`run <run>` command. These fixes are not invoked during
|
|||||||
Restrictions
|
Restrictions
|
||||||
""""""""""""
|
""""""""""""
|
||||||
|
|
||||||
This fix is part of the USER-LB package. It is only enabled if LAMMPS
|
This fix is part of the LATBOLTZ package. It is only enabled if LAMMPS
|
||||||
was built with that package. See the :doc:`Build package
|
was built with that package. See the :doc:`Build package
|
||||||
<Build_package>` doc page for more info.
|
<Build_package>` doc page for more info.
|
||||||
|
|
||||||
|
|||||||
@ -71,7 +71,7 @@ for details."
|
|||||||
Restrictions
|
Restrictions
|
||||||
""""""""""""
|
""""""""""""
|
||||||
|
|
||||||
This fix is part of the USER-LB package. It is only enabled if LAMMPS
|
This fix is part of the LATBOLTZ package. It is only enabled if LAMMPS
|
||||||
was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
|
||||||
|
|
||||||
Can only be used if a lattice-Boltzmann fluid has been created via the
|
Can only be used if a lattice-Boltzmann fluid has been created via the
|
||||||
|
|||||||
@ -16,7 +16,7 @@ brief descriptions of other fixes below, each of which have their own
|
|||||||
doc page.
|
doc page.
|
||||||
|
|
||||||
There are example scripts for using this package in
|
There are example scripts for using this package in
|
||||||
examples/PACKAGES/lb.
|
examples/PACKAGES/latboltz.
|
||||||
|
|
||||||
IMPORTANT NOTE: This package can only be used if LAMMPS is compiled
|
IMPORTANT NOTE: This package can only be used if LAMMPS is compiled
|
||||||
with MPI (i.e. the serial makefile should not be used to compile the
|
with MPI (i.e. the serial makefile should not be used to compile the
|
||||||
@ -23,7 +23,7 @@ FixStyle(lb/fluid,FixLbFluid);
|
|||||||
#include "fix.h"
|
#include "fix.h"
|
||||||
|
|
||||||
#if defined(MPI_STUBS)
|
#if defined(MPI_STUBS)
|
||||||
#error "The USER-LB package cannot be compiled in serial with MPI STUBS"
|
#error "The LATBOLTZ package cannot be compiled in serial with MPI STUBS"
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
namespace LAMMPS_NS {
|
namespace LAMMPS_NS {
|
||||||
@ -53,7 +53,7 @@ PACKAGE = asphere body class2 colloid compress coreshell dipole gpu \
|
|||||||
|
|
||||||
PACKUSER = user-adios user-atc user-awpmd user-brownian user-bocs cg-dna \
|
PACKUSER = user-adios user-atc user-awpmd user-brownian user-bocs cg-dna \
|
||||||
cg-sdk user-colvars user-dielectric user-diffraction user-dpd user-drude \
|
cg-sdk user-colvars user-dielectric user-diffraction user-dpd user-drude \
|
||||||
user-eff user-fep user-h5md ml-hdnnp user-intel user-lb user-manifold \
|
user-eff user-fep user-h5md ml-hdnnp user-intel latboltz user-manifold \
|
||||||
user-mdi meam user-mesodpd user-mesont user-mgpt user-misc \
|
user-mdi meam user-mesodpd user-mesont user-mgpt user-misc \
|
||||||
user-mofff user-molfile user-netcdf user-omp user-phonon \
|
user-mofff user-molfile user-netcdf user-omp user-phonon \
|
||||||
ml-pace user-plumed user-ptm user-qmmm user-qtb ml-quip \
|
ml-pace user-plumed user-ptm user-qmmm user-qtb ml-quip \
|
||||||
@ -61,11 +61,11 @@ PACKUSER = user-adios user-atc user-awpmd user-brownian user-bocs cg-dna \
|
|||||||
user-sdpd user-sph user-tally user-uef user-vtk user-yaff
|
user-sdpd user-sph user-tally user-uef user-vtk user-yaff
|
||||||
|
|
||||||
PACKLIB = compress gpu kim kokkos latte message mpiio mscg poems python voronoi \
|
PACKLIB = compress gpu kim kokkos latte message mpiio mscg poems python voronoi \
|
||||||
user-adios user-atc user-awpmd user-colvars user-h5md ml-hdnnp user-lb user-mdi \
|
user-adios user-atc user-awpmd user-colvars user-h5md ml-hdnnp latboltz user-mdi \
|
||||||
user-mesont user-molfile user-netcdf ml-pace user-plumed user-qmmm ml-quip \
|
user-mesont user-molfile user-netcdf ml-pace user-plumed user-qmmm ml-quip \
|
||||||
user-scafacos user-smd user-vtk
|
user-scafacos user-smd user-vtk
|
||||||
|
|
||||||
PACKSYS = compress mpiio python user-lb
|
PACKSYS = compress mpiio python latboltz
|
||||||
|
|
||||||
PACKINT = gpu kokkos message poems user-atc user-awpmd user-colvars user-mesont \
|
PACKINT = gpu kokkos message poems user-atc user-awpmd user-colvars user-mesont \
|
||||||
user-mdi
|
user-mdi
|
||||||
|
|||||||
Reference in New Issue
Block a user