diff --git a/cmake/presets/all_off.cmake b/cmake/presets/all_off.cmake index c95d3e8463..b873965fe4 100644 --- a/cmake/presets/all_off.cmake +++ b/cmake/presets/all_off.cmake @@ -30,6 +30,7 @@ set(ALL_PACKAGES GRANULAR H5MD INTEL + INTERLAYER KIM KOKKOS KSPACE diff --git a/cmake/presets/all_on.cmake b/cmake/presets/all_on.cmake index bc7ae553db..b4fe8e5303 100644 --- a/cmake/presets/all_on.cmake +++ b/cmake/presets/all_on.cmake @@ -32,6 +32,7 @@ set(ALL_PACKAGES GRANULAR H5MD INTEL + INTERLAYER KIM KOKKOS KSPACE diff --git a/cmake/presets/mingw-cross.cmake b/cmake/presets/mingw-cross.cmake index b07d1a707b..71675ba9d7 100644 --- a/cmake/presets/mingw-cross.cmake +++ b/cmake/presets/mingw-cross.cmake @@ -25,6 +25,7 @@ set(WIN_PACKAGES GPU GRANULAR INTEL + INTERLAYER KSPACE LATTE MACHDYN diff --git a/cmake/presets/most.cmake b/cmake/presets/most.cmake index ae65cc75bb..8ad6ff31dc 100644 --- a/cmake/presets/most.cmake +++ b/cmake/presets/most.cmake @@ -25,6 +25,7 @@ set(ALL_PACKAGES EFF FEP GRANULAR + INTERLAYER KSPACE MACHDYN MANYBODY diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst index cf70be0d4b..d5bc72de75 100644 --- a/doc/src/Packages_details.rst +++ b/doc/src/Packages_details.rst @@ -54,6 +54,7 @@ page gives those details. * :ref:`GRANULAR ` * :ref:`H5MD ` * :ref:`INTEL ` + * :ref:`INTERLAYER ` * :ref:`KIM ` * :ref:`KOKKOS ` * :ref:`KSPACE ` @@ -933,6 +934,24 @@ This package has :ref:`specific installation instructions ` on the :doc:` ---------- +.. _PKG-INTERLAYER: + +INTERLAYER package +------------------ + +**Contents:** + +A collection of pair styles specifically to be used for modeling layered +materials, most commonly graphene sheets (or equivalents). + +**Supporting info:** + +* src/INTERLAYER: filenames -> commands +* :doc:`Pair style ` page +* examples/PACKAGES/interlayer + +---------- + .. _PKG-KIM: KIM package diff --git a/doc/src/Packages_list.rst b/doc/src/Packages_list.rst index 44c05f8a39..0724c7ab44 100644 --- a/doc/src/Packages_list.rst +++ b/doc/src/Packages_list.rst @@ -168,6 +168,11 @@ whether an extra library is needed to build and use the package: - :doc:`Speed intel ` - `Benchmarks `_ - no + * - :ref:`INTERLAYER ` + - Inter-layer pair potentials + - :doc:`several pair styles ` + - PACKAGES/interlayer + - no * - :ref:`KIM ` - OpenKIM wrapper - :doc:`pair_style kim ` diff --git a/doc/src/pair_coul_shield.rst b/doc/src/pair_coul_shield.rst index 31e1bcc176..0ca656092e 100644 --- a/doc/src/pair_coul_shield.rst +++ b/doc/src/pair_coul_shield.rst @@ -82,8 +82,9 @@ This pair style can only be used via the *pair* keyword of the Restrictions """""""""""" -This style is part of the USER-MISC package. It is only enabled if -LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. +This pair style is part of the INTERLAYER package. It is only enabled +if LAMMPS was built with that package. See the :doc:`Build package +` doc page for more info. Related commands """""""""""""""" diff --git a/doc/src/pair_drip.rst b/doc/src/pair_drip.rst index e3b986615e..39a5e8bbef 100644 --- a/doc/src/pair_drip.rst +++ b/doc/src/pair_drip.rst @@ -117,18 +117,18 @@ pair_coeff commands in an input script that reads a restart file. Restrictions """""""""""" -This pair style is part of the USER-MISC package. It is only enabled if LAMMPS -was built with that package. See the :doc:`Build package ` doc -page for more info. +This pair style is part of the INTERLAYER package. It is only enabled if +LAMMPS was built with that package. See the :doc:`Build package +` doc page for more info. -This pair potential requires the :doc:`newton ` setting to be "on" for +This pair style requires the :doc:`newton ` setting to be "on" for pair interactions. The *C.drip* parameter file provided with LAMMPS (see the "potentials" -directory) is parameterized for metal :doc:`units `. You can use the DRIP -potential with any LAMMPS units, but you would need to create your own custom -parameter file with coefficients listed in the appropriate units, if your -simulation does not use "metal" units. +directory) is parameterized for metal :doc:`units `. You can use +the DRIP potential with any LAMMPS units, but you would need to create +your own custom parameter file with coefficients listed in the +appropriate units, if your simulation does not use "metal" units. Related commands """""""""""""""" diff --git a/doc/src/pair_ilp_graphene_hbn.rst b/doc/src/pair_ilp_graphene_hbn.rst index bc460c58a2..63357dc926 100644 --- a/doc/src/pair_ilp_graphene_hbn.rst +++ b/doc/src/pair_ilp_graphene_hbn.rst @@ -139,10 +139,11 @@ that reads a restart file. Restrictions """""""""""" -This fix is part of the USER-MISC package. It is only enabled if -LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. +This pair style is part of the INTERLAYER package. It is only enabled +if LAMMPS was built with that package. See the :doc:`Build package +` doc page for more info. -This pair potential requires the newton setting to be *on* for pair +This pair style requires the newton setting to be *on* for pair interactions. The BNCH.ILP potential file provided with LAMMPS (see the potentials diff --git a/doc/src/pair_kolmogorov_crespi_full.rst b/doc/src/pair_kolmogorov_crespi_full.rst index 858b0eb984..265299cfdd 100644 --- a/doc/src/pair_kolmogorov_crespi_full.rst +++ b/doc/src/pair_kolmogorov_crespi_full.rst @@ -119,14 +119,15 @@ that reads a restart file. Restrictions """""""""""" -This fix is part of the USER-MISC package. It is only enabled if -LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. +This pair style is part of the USER-MISCt package. It is only enabled +if LAMMPS was built with that package. See the :doc:`Build package +` doc page for more info. -This pair potential requires the newton setting to be *on* for pair +This pair style requires the newton setting to be *on* for pair interactions. The CH.KC potential file provided with LAMMPS (see the potentials -folder) are parameterized for metal units. You can use this potential +folder) is parameterized for metal units. You can use this pair style with any LAMMPS units, but you would need to create your own custom CC.KC potential file with all coefficients converted to the appropriate units. diff --git a/doc/src/pair_kolmogorov_crespi_z.rst b/doc/src/pair_kolmogorov_crespi_z.rst index bd02221074..60c012c47c 100644 --- a/doc/src/pair_kolmogorov_crespi_z.rst +++ b/doc/src/pair_kolmogorov_crespi_z.rst @@ -58,8 +58,9 @@ Other interactions can be set to zero using pair_style *none*\ . Restrictions """""""""""" -This fix is part of the USER-MISC package. It is only enabled if -LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. +This fix is part of the INTERLAYER package. It is only enabled if +LAMMPS was built with that package. See the :doc:`Build package +` doc page for more info. Related commands """""""""""""""" diff --git a/doc/src/pair_lebedeva_z.rst b/doc/src/pair_lebedeva_z.rst index 22b3114bf6..369828784c 100644 --- a/doc/src/pair_lebedeva_z.rst +++ b/doc/src/pair_lebedeva_z.rst @@ -53,8 +53,9 @@ Other interactions can be set to zero using pair_style *none*\ . Restrictions """""""""""" -This fix is part of the USER-MISC package. It is only enabled if -LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. +This pair style is part of the INTERLAYER package. It is only enabled +if LAMMPS was built with that package. See the :doc:`Build package +` doc page for more info. Related commands """""""""""""""" diff --git a/examples/USER-MISC/drip/C.drip b/examples/PACKAGES/interlayer/drip/C.drip similarity index 100% rename from examples/USER-MISC/drip/C.drip rename to examples/PACKAGES/interlayer/drip/C.drip diff --git a/examples/USER-MISC/drip/CH.rebo b/examples/PACKAGES/interlayer/drip/CH.rebo similarity index 100% rename from examples/USER-MISC/drip/CH.rebo rename to examples/PACKAGES/interlayer/drip/CH.rebo diff --git a/examples/USER-MISC/drip/README.txt b/examples/PACKAGES/interlayer/drip/README.txt similarity index 100% rename from examples/USER-MISC/drip/README.txt rename to examples/PACKAGES/interlayer/drip/README.txt diff --git a/examples/USER-MISC/drip/data.C b/examples/PACKAGES/interlayer/drip/data.C similarity index 100% rename from examples/USER-MISC/drip/data.C rename to examples/PACKAGES/interlayer/drip/data.C diff --git a/examples/USER-MISC/drip/data.CH b/examples/PACKAGES/interlayer/drip/data.CH similarity index 100% rename from examples/USER-MISC/drip/data.CH rename to examples/PACKAGES/interlayer/drip/data.CH diff --git a/examples/USER-MISC/drip/in.CH_drip b/examples/PACKAGES/interlayer/drip/in.CH_drip similarity index 100% rename from examples/USER-MISC/drip/in.CH_drip rename to examples/PACKAGES/interlayer/drip/in.CH_drip diff --git a/examples/USER-MISC/drip/in.C_drip b/examples/PACKAGES/interlayer/drip/in.C_drip similarity index 100% rename from examples/USER-MISC/drip/in.C_drip rename to examples/PACKAGES/interlayer/drip/in.C_drip diff --git a/examples/USER-MISC/drip/log.30Apr19.CH_drip.g++.1 b/examples/PACKAGES/interlayer/drip/log.30Apr19.CH_drip.g++.1 similarity index 100% rename from examples/USER-MISC/drip/log.30Apr19.CH_drip.g++.1 rename to examples/PACKAGES/interlayer/drip/log.30Apr19.CH_drip.g++.1 diff --git a/examples/USER-MISC/drip/log.30Apr19.CH_drip.g++.4 b/examples/PACKAGES/interlayer/drip/log.30Apr19.CH_drip.g++.4 similarity index 100% rename from examples/USER-MISC/drip/log.30Apr19.CH_drip.g++.4 rename to examples/PACKAGES/interlayer/drip/log.30Apr19.CH_drip.g++.4 diff --git a/examples/USER-MISC/drip/log.30Apr19.C_drip.g++.1 b/examples/PACKAGES/interlayer/drip/log.30Apr19.C_drip.g++.1 similarity index 100% rename from examples/USER-MISC/drip/log.30Apr19.C_drip.g++.1 rename to examples/PACKAGES/interlayer/drip/log.30Apr19.C_drip.g++.1 diff --git a/examples/USER-MISC/drip/log.30Apr19.C_drip.g++.4 b/examples/PACKAGES/interlayer/drip/log.30Apr19.C_drip.g++.4 similarity index 100% rename from examples/USER-MISC/drip/log.30Apr19.C_drip.g++.4 rename to examples/PACKAGES/interlayer/drip/log.30Apr19.C_drip.g++.4 diff --git a/examples/USER-MISC/ilp_graphene_hbn/BNC.tersoff b/examples/PACKAGES/interlayer/ilp_graphene_hbn/BNC.tersoff similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/BNC.tersoff rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/BNC.tersoff diff --git a/examples/USER-MISC/ilp_graphene_hbn/BNCH-old.ILP b/examples/PACKAGES/interlayer/ilp_graphene_hbn/BNCH-old.ILP similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/BNCH-old.ILP rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/BNCH-old.ILP diff --git a/examples/USER-MISC/ilp_graphene_hbn/Bi_gr_AB_stack_2L_noH.data b/examples/PACKAGES/interlayer/ilp_graphene_hbn/Bi_gr_AB_stack_2L_noH.data similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/Bi_gr_AB_stack_2L_noH.data rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/Bi_gr_AB_stack_2L_noH.data diff --git a/examples/USER-MISC/ilp_graphene_hbn/gr_hBN_Cstack_2L_noH.data b/examples/PACKAGES/interlayer/ilp_graphene_hbn/gr_hBN_Cstack_2L_noH.data similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/gr_hBN_Cstack_2L_noH.data rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/gr_hBN_Cstack_2L_noH.data diff --git a/examples/USER-MISC/ilp_graphene_hbn/hBN_AA_prime_stack_2L_noH.data b/examples/PACKAGES/interlayer/ilp_graphene_hbn/hBN_AA_prime_stack_2L_noH.data similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/hBN_AA_prime_stack_2L_noH.data rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/hBN_AA_prime_stack_2L_noH.data diff --git a/examples/USER-MISC/ilp_graphene_hbn/hBN_AB_stack_2L_noH_equi_300K.data b/examples/PACKAGES/interlayer/ilp_graphene_hbn/hBN_AB_stack_2L_noH_equi_300K.data similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/hBN_AB_stack_2L_noH_equi_300K.data rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/hBN_AB_stack_2L_noH_equi_300K.data diff --git a/examples/USER-MISC/ilp_graphene_hbn/in.bilayer-graphene b/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/in.bilayer-graphene rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene diff --git a/examples/USER-MISC/ilp_graphene_hbn/in.bilayer-hBN b/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/in.bilayer-hBN rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN diff --git a/examples/USER-MISC/ilp_graphene_hbn/in.grhBN b/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/in.grhBN rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN diff --git a/examples/USER-MISC/ilp_graphene_hbn/in.ilp_graphene_hbn b/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/in.ilp_graphene_hbn rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn diff --git a/examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.1 b/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.1 similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.1 rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.1 diff --git a/examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.4 b/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.4 similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.4 rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.4 diff --git a/examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.1 b/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.1 similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.1 rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.1 diff --git a/examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.4 b/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.4 similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.4 rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.4 diff --git a/examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.grhBN.g++.1 b/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.grhBN.g++.1 similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.grhBN.g++.1 rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.grhBN.g++.1 diff --git a/examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.grhBN.g++.4 b/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.grhBN.g++.4 similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.grhBN.g++.4 rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.grhBN.g++.4 diff --git a/examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.1 b/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.1 similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.1 rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.1 diff --git a/examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.4 b/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.4 similarity index 100% rename from examples/USER-MISC/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.4 rename to examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.4 diff --git a/examples/USER-MISC/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH.data b/examples/PACKAGES/interlayer/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH.data similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH.data rename to examples/PACKAGES/interlayer/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH.data diff --git a/examples/USER-MISC/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH_300K.data b/examples/PACKAGES/interlayer/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH_300K.data similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH_300K.data rename to examples/PACKAGES/interlayer/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH_300K.data diff --git a/examples/USER-MISC/kolmogorov_crespi_full/CC.KC-full b/examples/PACKAGES/interlayer/kolmogorov_crespi_full/CC.KC-full similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_full/CC.KC-full rename to examples/PACKAGES/interlayer/kolmogorov_crespi_full/CC.KC-full diff --git a/examples/USER-MISC/kolmogorov_crespi_full/CH.KC b/examples/PACKAGES/interlayer/kolmogorov_crespi_full/CH.KC similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_full/CH.KC rename to examples/PACKAGES/interlayer/kolmogorov_crespi_full/CH.KC diff --git a/examples/USER-MISC/kolmogorov_crespi_full/CH.rebo b/examples/PACKAGES/interlayer/kolmogorov_crespi_full/CH.rebo similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_full/CH.rebo rename to examples/PACKAGES/interlayer/kolmogorov_crespi_full/CH.rebo diff --git a/examples/USER-MISC/kolmogorov_crespi_full/CH_taper.KC b/examples/PACKAGES/interlayer/kolmogorov_crespi_full/CH_taper.KC similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_full/CH_taper.KC rename to examples/PACKAGES/interlayer/kolmogorov_crespi_full/CH_taper.KC diff --git a/examples/USER-MISC/kolmogorov_crespi_full/in.bilayer-graphene b/examples/PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_full/in.bilayer-graphene rename to examples/PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene diff --git a/examples/USER-MISC/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.1 b/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.1 similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.1 rename to examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.1 diff --git a/examples/USER-MISC/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.4 b/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.4 similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.4 rename to examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.4 diff --git a/examples/USER-MISC/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.1 b/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.1 similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.1 rename to examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.1 diff --git a/examples/USER-MISC/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.4 b/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.4 similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.4 rename to examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.4 diff --git a/examples/USER-MISC/kolmogorov_crespi_z/CC.KC b/examples/PACKAGES/interlayer/kolmogorov_crespi_z/CC.KC similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_z/CC.KC rename to examples/PACKAGES/interlayer/kolmogorov_crespi_z/CC.KC diff --git a/examples/USER-MISC/kolmogorov_crespi_z/CH.rebo b/examples/PACKAGES/interlayer/kolmogorov_crespi_z/CH.rebo similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_z/CH.rebo rename to examples/PACKAGES/interlayer/kolmogorov_crespi_z/CH.rebo diff --git a/examples/USER-MISC/kolmogorov_crespi_z/data.bilayer-graphene b/examples/PACKAGES/interlayer/kolmogorov_crespi_z/data.bilayer-graphene similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_z/data.bilayer-graphene rename to examples/PACKAGES/interlayer/kolmogorov_crespi_z/data.bilayer-graphene diff --git a/examples/USER-MISC/kolmogorov_crespi_z/data.graphene-adsorbant b/examples/PACKAGES/interlayer/kolmogorov_crespi_z/data.graphene-adsorbant similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_z/data.graphene-adsorbant rename to examples/PACKAGES/interlayer/kolmogorov_crespi_z/data.graphene-adsorbant diff --git a/examples/USER-MISC/kolmogorov_crespi_z/in.atom-diffusion b/examples/PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_z/in.atom-diffusion rename to examples/PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion diff --git a/examples/USER-MISC/kolmogorov_crespi_z/in.bilayer-graphene b/examples/PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_z/in.bilayer-graphene rename to examples/PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene diff --git a/examples/USER-MISC/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.1 b/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.1 similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.1 rename to examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.1 diff --git a/examples/USER-MISC/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.4 b/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.4 similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.4 rename to examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.4 diff --git a/examples/USER-MISC/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.1 b/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.1 similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.1 rename to examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.1 diff --git a/examples/USER-MISC/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.4 b/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.4 similarity index 100% rename from examples/USER-MISC/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.4 rename to examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.4 diff --git a/examples/USER-MISC/lebedeva/2particles.dat b/examples/PACKAGES/interlayer/lebedeva/2particles.dat similarity index 100% rename from examples/USER-MISC/lebedeva/2particles.dat rename to examples/PACKAGES/interlayer/lebedeva/2particles.dat diff --git a/examples/USER-MISC/lebedeva/2particles.in b/examples/PACKAGES/interlayer/lebedeva/2particles.in similarity index 100% rename from examples/USER-MISC/lebedeva/2particles.in rename to examples/PACKAGES/interlayer/lebedeva/2particles.in diff --git a/examples/USER-MISC/lebedeva/CC.Lebedeva b/examples/PACKAGES/interlayer/lebedeva/CC.Lebedeva similarity index 100% rename from examples/USER-MISC/lebedeva/CC.Lebedeva rename to examples/PACKAGES/interlayer/lebedeva/CC.Lebedeva diff --git a/examples/USER-MISC/lebedeva/LammpsResult.dat b/examples/PACKAGES/interlayer/lebedeva/LammpsResult.dat similarity index 100% rename from examples/USER-MISC/lebedeva/LammpsResult.dat rename to examples/PACKAGES/interlayer/lebedeva/LammpsResult.dat diff --git a/examples/USER-MISC/lebedeva/LebDer.pl b/examples/PACKAGES/interlayer/lebedeva/LebDer.pl similarity index 100% rename from examples/USER-MISC/lebedeva/LebDer.pl rename to examples/PACKAGES/interlayer/lebedeva/LebDer.pl diff --git a/examples/USER-MISC/lebedeva/lebedeva00.plot b/examples/PACKAGES/interlayer/lebedeva/lebedeva00.plot similarity index 100% rename from examples/USER-MISC/lebedeva/lebedeva00.plot rename to examples/PACKAGES/interlayer/lebedeva/lebedeva00.plot diff --git a/src/USER-MISC/pair_coul_shield.cpp b/src/INTERLAYER/pair_coul_shield.cpp similarity index 100% rename from src/USER-MISC/pair_coul_shield.cpp rename to src/INTERLAYER/pair_coul_shield.cpp diff --git a/src/USER-MISC/pair_coul_shield.h b/src/INTERLAYER/pair_coul_shield.h similarity index 100% rename from src/USER-MISC/pair_coul_shield.h rename to src/INTERLAYER/pair_coul_shield.h diff --git a/src/USER-MISC/pair_drip.cpp b/src/INTERLAYER/pair_drip.cpp similarity index 100% rename from src/USER-MISC/pair_drip.cpp rename to src/INTERLAYER/pair_drip.cpp diff --git a/src/USER-MISC/pair_drip.h b/src/INTERLAYER/pair_drip.h similarity index 100% rename from src/USER-MISC/pair_drip.h rename to src/INTERLAYER/pair_drip.h diff --git a/src/USER-MISC/pair_ilp_graphene_hbn.cpp b/src/INTERLAYER/pair_ilp_graphene_hbn.cpp similarity index 100% rename from src/USER-MISC/pair_ilp_graphene_hbn.cpp rename to src/INTERLAYER/pair_ilp_graphene_hbn.cpp diff --git a/src/USER-MISC/pair_ilp_graphene_hbn.h b/src/INTERLAYER/pair_ilp_graphene_hbn.h similarity index 100% rename from src/USER-MISC/pair_ilp_graphene_hbn.h rename to src/INTERLAYER/pair_ilp_graphene_hbn.h diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp b/src/INTERLAYER/pair_kolmogorov_crespi_full.cpp similarity index 100% rename from src/USER-MISC/pair_kolmogorov_crespi_full.cpp rename to src/INTERLAYER/pair_kolmogorov_crespi_full.cpp diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.h b/src/INTERLAYER/pair_kolmogorov_crespi_full.h similarity index 100% rename from src/USER-MISC/pair_kolmogorov_crespi_full.h rename to src/INTERLAYER/pair_kolmogorov_crespi_full.h diff --git a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp b/src/INTERLAYER/pair_kolmogorov_crespi_z.cpp similarity index 100% rename from src/USER-MISC/pair_kolmogorov_crespi_z.cpp rename to src/INTERLAYER/pair_kolmogorov_crespi_z.cpp diff --git a/src/USER-MISC/pair_kolmogorov_crespi_z.h b/src/INTERLAYER/pair_kolmogorov_crespi_z.h similarity index 100% rename from src/USER-MISC/pair_kolmogorov_crespi_z.h rename to src/INTERLAYER/pair_kolmogorov_crespi_z.h diff --git a/src/USER-MISC/pair_lebedeva_z.cpp b/src/INTERLAYER/pair_lebedeva_z.cpp similarity index 100% rename from src/USER-MISC/pair_lebedeva_z.cpp rename to src/INTERLAYER/pair_lebedeva_z.cpp diff --git a/src/USER-MISC/pair_lebedeva_z.h b/src/INTERLAYER/pair_lebedeva_z.h similarity index 100% rename from src/USER-MISC/pair_lebedeva_z.h rename to src/INTERLAYER/pair_lebedeva_z.h diff --git a/src/Makefile b/src/Makefile index 52dff05148..5e26de47ce 100644 --- a/src/Makefile +++ b/src/Makefile @@ -74,6 +74,7 @@ PACKAGE = \ granular \ h5md \ intel \ + interlayer \ kim \ kokkos \ kspace \ @@ -157,6 +158,7 @@ PACKMOST = \ eff \ fep \ granular \ + interlayer \ kspace \ manybody \ mc \ @@ -186,7 +188,7 @@ PACKMOST = \ ml-iap \ phonon -# NOTE: the last three packages must remain at the end since +# NOTE ^^^^^: the last three packages must remain at the end since # they depend on other packages to be installed first. PACKLIB = \