move interlayer potentials to their own package
This commit is contained in:
Axel Kohlmeyer
@ -30,6 +30,7 @@ set(ALL_PACKAGES
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GRANULAR
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H5MD
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INTEL
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INTERLAYER
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KIM
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KOKKOS
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KSPACE
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@ -32,6 +32,7 @@ set(ALL_PACKAGES
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GRANULAR
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H5MD
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INTEL
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INTERLAYER
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KIM
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KOKKOS
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KSPACE
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@ -25,6 +25,7 @@ set(WIN_PACKAGES
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GPU
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GRANULAR
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INTEL
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INTERLAYER
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KSPACE
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LATTE
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MACHDYN
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@ -25,6 +25,7 @@ set(ALL_PACKAGES
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EFF
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FEP
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GRANULAR
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INTERLAYER
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KSPACE
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MACHDYN
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MANYBODY
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@ -54,6 +54,7 @@ page gives those details.
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* :ref:`GRANULAR <PKG-GRANULAR>`
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* :ref:`H5MD <PKG-H5MD>`
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* :ref:`INTEL <PKG-INTEL>`
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* :ref:`INTERLAYER <PKG-INTERLAYER>`
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* :ref:`KIM <PKG-KIM>`
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* :ref:`KOKKOS <PKG-KOKKOS>`
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* :ref:`KSPACE <PKG-KSPACE>`
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@ -933,6 +934,24 @@ This package has :ref:`specific installation instructions <intel>` on the :doc:`
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----------
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.. _PKG-INTERLAYER:
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INTERLAYER package
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------------------
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**Contents:**
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A collection of pair styles specifically to be used for modeling layered
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materials, most commonly graphene sheets (or equivalents).
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**Supporting info:**
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* src/INTERLAYER: filenames -> commands
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* :doc:`Pair style <Commands_pair>` page
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* examples/PACKAGES/interlayer
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----------
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.. _PKG-KIM:
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KIM package
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@ -168,6 +168,11 @@ whether an extra library is needed to build and use the package:
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- :doc:`Speed intel <Speed_intel>`
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- `Benchmarks <https://www.lammps.org/bench.html>`_
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- no
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* - :ref:`INTERLAYER <PKG-INTERLAYER>`
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- Inter-layer pair potentials
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- :doc:`several pair styles <Commands_pair>`
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- PACKAGES/interlayer
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- no
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* - :ref:`KIM <PKG-KIM>`
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- OpenKIM wrapper
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- :doc:`pair_style kim <pair_kim>`
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@ -82,8 +82,9 @@ This pair style can only be used via the *pair* keyword of the
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Restrictions
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""""""""""""
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This style is part of the USER-MISC package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
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This pair style is part of the INTERLAYER package. It is only enabled
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if LAMMPS was built with that package. See the :doc:`Build package
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<Build_package>` doc page for more info.
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Related commands
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""""""""""""""""
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@ -117,18 +117,18 @@ pair_coeff commands in an input script that reads a restart file.
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Restrictions
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""""""""""""
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This pair style is part of the USER-MISC package. It is only enabled if LAMMPS
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was built with that package. See the :doc:`Build package <Build_package>` doc
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page for more info.
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This pair style is part of the INTERLAYER package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package
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<Build_package>` doc page for more info.
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This pair potential requires the :doc:`newton <newton>` setting to be "on" for
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This pair style requires the :doc:`newton <newton>` setting to be "on" for
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pair interactions.
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The *C.drip* parameter file provided with LAMMPS (see the "potentials"
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directory) is parameterized for metal :doc:`units <units>`. You can use the DRIP
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potential with any LAMMPS units, but you would need to create your own custom
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parameter file with coefficients listed in the appropriate units, if your
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simulation does not use "metal" units.
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directory) is parameterized for metal :doc:`units <units>`. You can use
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the DRIP potential with any LAMMPS units, but you would need to create
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your own custom parameter file with coefficients listed in the
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appropriate units, if your simulation does not use "metal" units.
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Related commands
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""""""""""""""""
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@ -139,10 +139,11 @@ that reads a restart file.
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Restrictions
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""""""""""""
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This fix is part of the USER-MISC package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
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This pair style is part of the INTERLAYER package. It is only enabled
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if LAMMPS was built with that package. See the :doc:`Build package
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<Build_package>` doc page for more info.
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This pair potential requires the newton setting to be *on* for pair
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This pair style requires the newton setting to be *on* for pair
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interactions.
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The BNCH.ILP potential file provided with LAMMPS (see the potentials
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@ -119,14 +119,15 @@ that reads a restart file.
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Restrictions
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""""""""""""
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This fix is part of the USER-MISC package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
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This pair style is part of the USER-MISCt package. It is only enabled
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if LAMMPS was built with that package. See the :doc:`Build package
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<Build_package>` doc page for more info.
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This pair potential requires the newton setting to be *on* for pair
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This pair style requires the newton setting to be *on* for pair
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interactions.
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The CH.KC potential file provided with LAMMPS (see the potentials
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folder) are parameterized for metal units. You can use this potential
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folder) is parameterized for metal units. You can use this pair style
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with any LAMMPS units, but you would need to create your own custom
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CC.KC potential file with all coefficients converted to the appropriate
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units.
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@ -58,8 +58,9 @@ Other interactions can be set to zero using pair_style *none*\ .
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Restrictions
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""""""""""""
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This fix is part of the USER-MISC package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
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This fix is part of the INTERLAYER package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package
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<Build_package>` doc page for more info.
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Related commands
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""""""""""""""""
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@ -53,8 +53,9 @@ Other interactions can be set to zero using pair_style *none*\ .
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Restrictions
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""""""""""""
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This fix is part of the USER-MISC package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
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This pair style is part of the INTERLAYER package. It is only enabled
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if LAMMPS was built with that package. See the :doc:`Build package
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<Build_package>` doc page for more info.
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Related commands
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""""""""""""""""
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@ -74,6 +74,7 @@ PACKAGE = \
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granular \
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h5md \
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intel \
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interlayer \
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kim \
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kokkos \
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kspace \
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@ -157,6 +158,7 @@ PACKMOST = \
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eff \
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fep \
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granular \
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interlayer \
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kspace \
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manybody \
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mc \
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@ -186,7 +188,7 @@ PACKMOST = \
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ml-iap \
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phonon
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# NOTE: the last three packages must remain at the end since
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# NOTE ^^^^^: the last three packages must remain at the end since
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# they depend on other packages to be installed first.
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PACKLIB = \
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