diff --git a/doc/src/Modify_contribute.rst b/doc/src/Modify_contribute.rst index 4998712a3d..875212be4e 100644 --- a/doc/src/Modify_contribute.rst +++ b/doc/src/Modify_contribute.rst @@ -10,15 +10,15 @@ Tutorial ` for a demonstration on how to do that. An alternative is to contact the LAMMPS developers or the indicated developer of a package or feature directly and send in your contribution via e-mail, but that can add a significant delay on getting your -contribution included, depending on how busy the developer is you -contact, how complex a task it would be to integrate that code, and how +contribution included, depending on how busy the respective developer +is, how complex a task it would be to integrate that code, and how many - if any - changes are required before the code can be included. For any larger modifications or programming project, you are encouraged -to contact the LAMMPS developers ahead of time, in order to discuss -implementation strategies and coding guidelines, that will make it -easier to integrate your contribution and result in less work for -everybody involved. You are also encouraged to search through the list +to contact the LAMMPS developers ahead of time in order to discuss +implementation strategies and coding guidelines. That will make it +easier to integrate your contribution and results in less work for +everybody involved. You are also encouraged to search through the list of `open issues on GitHub `_ and submit a new issue for a planned feature, so you would not duplicate the work of others (and possibly get scooped by them) or have your work @@ -34,18 +34,19 @@ installing, or using LAMMPS. Please contact the `lammps-users mailing list `_ for those purposes instead. How quickly your contribution will be integrated depends largely on how -much effort it will cause to integrate and test it, how much it requires -changes to the core codebase, and of how much interest it is to the -larger LAMMPS community. Please see below for a checklist of typical -requirements. Once you have prepared everything, see the :doc:`LAMMPS GitHub -Tutorial ` page for instructions on -how to submit your changes or new files through a GitHub pull -request. If you prefer to submit patches or full files, you should first -make certain, that your code works correctly with the latest patch-level -version of LAMMPS and contains all bug fixes from it. Then create a -gzipped tar file of all changed or added files or a corresponding patch -file using 'diff -u' or 'diff -c' and compress it with gzip. Please only -use gzip compression, as this works well on all platforms. +much effort it will cause to integrate and test it, how many and what +kind of changes it requires to the core codebase, and of how much +interest it is to the larger LAMMPS community. Please see below for a +checklist of typical requirements. Once you have prepared everything, +see the :doc:`LAMMPS GitHub Tutorial ` page for +instructions on how to submit your changes or new files through a GitHub +pull request. If you prefer to submit patches or full files, you should +first make certain, that your code works correctly with the latest +patch-level version of LAMMPS and contains all bug fixes from it. Then +create a gzipped tar file of all changed or added files or a +corresponding patch file using 'diff -u' or 'diff -c' and compress it +with gzip. Please only use gzip compression, as this works well and is +available on all platforms. If the new features/files are broadly useful we may add them as core files to LAMMPS or as part of a :doc:`standard package `. Else we will add them as a @@ -57,9 +58,12 @@ added to the LAMMPS distribution. All the standard and user packages are listed and described on the :doc:`Packages details ` doc page. Note that by providing us files to release, you are agreeing to make -them open-source, i.e. we can release them under the terms of the GPL, -used as a license for the rest of LAMMPS. See the :doc:`LAMMPS license -` doc page for details. +them open-source, i.e. we can release them under the terms of the GPL +(version 2), used as a license for the rest of LAMMPS. And as part of +a LGPL (version 2.1) distribution that we make available to developers +on request only and with files that are authorized for that kind of +distribution removed (e.g. interface to FFTW). See the +:doc:`LAMMPS license ` doc page for details. With user packages and files, all we are really providing (aside from the fame and fortune that accompanies having your name in the source @@ -112,7 +116,7 @@ packages in the src directory for examples. If you are uncertain, please ask. your contribution(s) to be added to main LAMMPS code or one of its standard packages, it needs to be written in a style compatible with other LAMMPS source files. This means: 2-character indentation per - level, **no tabs**\ , no lines over 80 characters. I/O is done via + level, **no tabs**\ , no lines over 100 characters. I/O is done via the C-style stdio library (mixing of stdio and iostreams is generally discouraged), class header files should not import any system headers outside of , STL containers should be avoided in headers, @@ -131,6 +135,31 @@ packages in the src directory for examples. If you are uncertain, please ask. LAMMPS source files, including the use of the error class for error and warning messages. +* To simplify reformatting contributed code in a way that is compatible + with the LAMMPS formatting styles, you can use clang-format (version 8 + or later). The LAMMPS distribution includes a suitable ``.clang-format`` + file which will be applied if you run ``clang-format -i some_file.cpp`` + on your files inside the LAMMPS src tree. Please only reformat files + that you have contributed. For header files containing a + ``SomeStyle(keyword, ClassName)`` macros it is required to have this + macro embedded with a pair of ``// clang-format off``, ``// clang-format on`` + commends and the line must be terminated with a semi-colon (;). + Example: + + .. code-block:: c++ + + #ifdef COMMAND_CLASS + // clang-format off + CommandStyle(run,Run); + // clang-format on + #else + + #ifndef LMP_RUN_H + [...] + + You may also use ``// clang-format on/off`` throughout your file + to protect sections of the file from being reformatted. + * If you want your contribution to be added as a user-contributed feature, and it's a single file (actually a \*.cpp and \*.h file) it can rapidly be added to the USER-MISC directory. Send us the one-line diff --git a/src/KOKKOS/nbin_kokkos.h b/src/KOKKOS/nbin_kokkos.h index 508e786750..1cfd930030 100644 --- a/src/KOKKOS/nbin_kokkos.h +++ b/src/KOKKOS/nbin_kokkos.h @@ -12,15 +12,15 @@ ------------------------------------------------------------------------- */ #ifdef NBIN_CLASS - +// clang-format off NBinStyle(kk/host, NBinKokkos, - NB_STANDARD | NB_KOKKOS_HOST) + NB_STANDARD | NB_KOKKOS_HOST); NBinStyle(kk/device, NBinKokkos, - NB_STANDARD | NB_KOKKOS_DEVICE) - + NB_STANDARD | NB_KOKKOS_DEVICE); +// clang-format on #else #ifndef LMP_NBIN_KOKKOS_H diff --git a/src/KOKKOS/nbin_ssa_kokkos.h b/src/KOKKOS/nbin_ssa_kokkos.h index 0288d6e609..559b793288 100644 --- a/src/KOKKOS/nbin_ssa_kokkos.h +++ b/src/KOKKOS/nbin_ssa_kokkos.h @@ -12,15 +12,15 @@ ------------------------------------------------------------------------- */ #ifdef NBIN_CLASS - +// clang-format off NBinStyle(ssa/kk/host, NBinSSAKokkos, - NB_STANDARD | NB_SSA | NB_KOKKOS_HOST) + NB_STANDARD | NB_SSA | NB_KOKKOS_HOST); NBinStyle(ssa/kk/device, NBinSSAKokkos, - NB_STANDARD | NB_SSA | NB_KOKKOS_DEVICE) - + NB_STANDARD | NB_SSA | NB_KOKKOS_DEVICE); +// clang-format on #else #ifndef LMP_NBIN_SSA_KOKKOS_H diff --git a/src/USER-DPD/nbin_ssa.h b/src/USER-DPD/nbin_ssa.h index a814e4c1a2..7316545b54 100644 --- a/src/USER-DPD/nbin_ssa.h +++ b/src/USER-DPD/nbin_ssa.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NBIN_CLASS - +// clang-format off NBinStyle(ssa, NBinSSA, - NB_STANDARD | NB_SSA) - + NB_STANDARD | NB_SSA); +// clang-format on #else #ifndef LMP_NBIN_SSA_H diff --git a/src/USER-DPD/nstencil_half_bin_2d_ssa.h b/src/USER-DPD/nstencil_half_bin_2d_ssa.h index 675bb86532..001b0d2c1c 100644 --- a/src/USER-DPD/nstencil_half_bin_2d_ssa.h +++ b/src/USER-DPD/nstencil_half_bin_2d_ssa.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/bin/2d/ssa, NStencilHalfBin2dSSA, - NS_HALF | NS_BIN | NS_2D | NS_SSA | NS_ORTHO | NS_GHOST) - + NS_HALF | NS_BIN | NS_2D | NS_SSA | NS_ORTHO | NS_GHOST); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_BIN_2D_SSA_H diff --git a/src/USER-DPD/nstencil_half_bin_3d_ssa.h b/src/USER-DPD/nstencil_half_bin_3d_ssa.h index 67dd8dc05b..cd6bacdbfa 100644 --- a/src/USER-DPD/nstencil_half_bin_3d_ssa.h +++ b/src/USER-DPD/nstencil_half_bin_3d_ssa.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/bin/3d/ssa, NStencilHalfBin3dSSA, - NS_HALF | NS_BIN | NS_3D | NS_SSA | NS_ORTHO | NS_GHOST) - + NS_HALF | NS_BIN | NS_3D | NS_SSA | NS_ORTHO | NS_GHOST); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_BIN_3D_SSA_H diff --git a/src/USER-INTEL/nbin_intel.h b/src/USER-INTEL/nbin_intel.h index e83b314c6f..29c4b92ab8 100644 --- a/src/USER-INTEL/nbin_intel.h +++ b/src/USER-INTEL/nbin_intel.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NBIN_CLASS - +// clang-format off NBinStyle(intel, NBinIntel, - NB_STANDARD | NB_INTEL) - + NB_STANDARD | NB_INTEL); +// clang-format on #else #ifndef LMP_NBIN_INTEL_H diff --git a/src/USER-OMP/npair_full_multi_old_omp.h b/src/USER-OMP/npair_full_multi_old_omp.h index 608bee6da8..f9adb7c793 100644 --- a/src/USER-OMP/npair_full_multi_old_omp.h +++ b/src/USER-OMP/npair_full_multi_old_omp.h @@ -12,12 +12,12 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(full/multi/old/omp, NPairFullMultiOldOmp, NP_FULL | NP_MULTI_OLD | NP_OMP | - NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI) - + NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_FULL_MULTI_OLD_OMP_H diff --git a/src/USER-OMP/npair_half_multi_old_newtoff_omp.h b/src/USER-OMP/npair_half_multi_old_newtoff_omp.h index c52c7235ff..e25abb8941 100644 --- a/src/USER-OMP/npair_half_multi_old_newtoff_omp.h +++ b/src/USER-OMP/npair_half_multi_old_newtoff_omp.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/multi/old/newtoff/omp, NPairHalfMultiOldNewtoffOmp, - NP_HALF | NP_MULTI_OLD | NP_NEWTOFF | NP_OMP | NP_ORTHO | NP_TRI) - + NP_HALF | NP_MULTI_OLD | NP_NEWTOFF | NP_OMP | NP_ORTHO | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_HALF_MULTI_OLD_NEWTOFF_OMP_H diff --git a/src/USER-OMP/npair_half_multi_old_newton_omp.h b/src/USER-OMP/npair_half_multi_old_newton_omp.h index a868e6eaac..54a5f14837 100644 --- a/src/USER-OMP/npair_half_multi_old_newton_omp.h +++ b/src/USER-OMP/npair_half_multi_old_newton_omp.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/multi/old/newton/omp, NPairHalfMultiOldNewtonOmp, - NP_HALF | NP_MULTI_OLD | NP_NEWTON | NP_OMP | NP_ORTHO) - + NP_HALF | NP_MULTI_OLD | NP_NEWTON | NP_OMP | NP_ORTHO); +// clang-format on #else #ifndef LMP_NPAIR_HALF_MULTI_OLD_NEWTON_OMP_H diff --git a/src/USER-OMP/npair_half_multi_old_newton_tri_omp.h b/src/USER-OMP/npair_half_multi_old_newton_tri_omp.h index 90df0b680f..b1f791e32b 100644 --- a/src/USER-OMP/npair_half_multi_old_newton_tri_omp.h +++ b/src/USER-OMP/npair_half_multi_old_newton_tri_omp.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/multi/old/newton/tri/omp, NPairHalfMultiOldNewtonTriOmp, - NP_HALF | NP_MULTI_OLD | NP_NEWTON | NP_TRI | NP_OMP) - + NP_HALF | NP_MULTI_OLD | NP_NEWTON | NP_TRI | NP_OMP); +// clang-format on #else #ifndef LMP_NPAIR_HALF_MULTI_OLD_NEWTON_TRI_OMP_H diff --git a/src/USER-OMP/npair_half_size_multi_newtoff_omp.h b/src/USER-OMP/npair_half_size_multi_newtoff_omp.h index baeb3392d0..56da12805f 100644 --- a/src/USER-OMP/npair_half_size_multi_newtoff_omp.h +++ b/src/USER-OMP/npair_half_size_multi_newtoff_omp.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/size/multi/newtoff/omp, NPairHalfSizeMultiNewtoffOmp, - NP_HALF | NP_SIZE | NP_MULTI | NP_NEWTOFF | NP_OMP | NP_ORTHO | NP_TRI) - + NP_HALF | NP_SIZE | NP_MULTI | NP_NEWTOFF | NP_OMP | NP_ORTHO | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_HALF_SIZE_MULTI_NEWTOFF_OMP_H diff --git a/src/USER-OMP/npair_half_size_multi_old_newtoff_omp.h b/src/USER-OMP/npair_half_size_multi_old_newtoff_omp.h index af1be7fa0e..5f84c6b378 100644 --- a/src/USER-OMP/npair_half_size_multi_old_newtoff_omp.h +++ b/src/USER-OMP/npair_half_size_multi_old_newtoff_omp.h @@ -12,12 +12,12 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/size/multi/old/newtoff/omp, NPairHalfSizeMultiOldNewtoffOmp, NP_HALF | NP_SIZE | NP_MULTI_OLD | NP_NEWTOFF | NP_OMP | - NP_ORTHO | NP_TRI) - + NP_ORTHO | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_HALF_SIZE_MULTI_OLD_NEWTOFF_OMP_H diff --git a/src/USER-OMP/npair_half_size_multi_old_newton_omp.h b/src/USER-OMP/npair_half_size_multi_old_newton_omp.h index e9cd44c25c..75f9533c7e 100644 --- a/src/USER-OMP/npair_half_size_multi_old_newton_omp.h +++ b/src/USER-OMP/npair_half_size_multi_old_newton_omp.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/size/multi/old/newton/omp, NPairHalfSizeMultiOldNewtonOmp, - NP_HALF | NP_SIZE | NP_MULTI_OLD | NP_NEWTON | NP_OMP | NP_ORTHO) - + NP_HALF | NP_SIZE | NP_MULTI_OLD | NP_NEWTON | NP_OMP | NP_ORTHO); +// clang-format on #else #ifndef LMP_NPAIR_HALF_SIZE_MULTI_OLD_NEWTON_OMP_H diff --git a/src/USER-OMP/npair_half_size_multi_old_newton_tri_omp.h b/src/USER-OMP/npair_half_size_multi_old_newton_tri_omp.h index fccaf210f7..b133dcdbdc 100644 --- a/src/USER-OMP/npair_half_size_multi_old_newton_tri_omp.h +++ b/src/USER-OMP/npair_half_size_multi_old_newton_tri_omp.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/size/multi/old/newton/tri/omp, NPairHalfSizeMultiOldNewtonTriOmp, - NP_HALF | NP_SIZE | NP_MULTI_OLD | NP_NEWTON | NP_TRI | NP_OMP) - + NP_HALF | NP_SIZE | NP_MULTI_OLD | NP_NEWTON | NP_TRI | NP_OMP); +// clang-format on #else #ifndef LMP_NPAIR_HALF_SIZE_MULTI_OLD_NEWTON_TRI_OMP_H diff --git a/src/USER-OMP/npair_halffull_newtoff_omp.h b/src/USER-OMP/npair_halffull_newtoff_omp.h index 2d304f0c04..0a1f2bb93a 100644 --- a/src/USER-OMP/npair_halffull_newtoff_omp.h +++ b/src/USER-OMP/npair_halffull_newtoff_omp.h @@ -12,16 +12,17 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(halffull/newtoff/omp, NPairHalffullNewtoffOmp, NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF | - NP_ORTHO | NP_TRI |NP_OMP) + NP_ORTHO | NP_TRI |NP_OMP); NPairStyle(halffull/newtoff/skip/omp, NPairHalffullNewtoffOmp, NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF | - NP_ORTHO | NP_TRI | NP_SKIP | NP_OMP) + NP_ORTHO | NP_TRI | NP_SKIP | NP_OMP); +// clang-format on #else #ifndef LMP_NPAIR_HALFFULL_NEWTOFF_OMP_H diff --git a/src/USER-OMP/npair_halffull_newton_omp.h b/src/USER-OMP/npair_halffull_newton_omp.h index c4abf95d6d..271f9ae38a 100644 --- a/src/USER-OMP/npair_halffull_newton_omp.h +++ b/src/USER-OMP/npair_halffull_newton_omp.h @@ -12,17 +12,17 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(halffull/newton/omp, NPairHalffullNewtonOmp, NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_ORTHO | NP_TRI| NP_OMP) + NP_ORTHO | NP_TRI| NP_OMP); NPairStyle(halffull/newton/skip/omp, NPairHalffullNewtonOmp, NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_ORTHO | NP_TRI | NP_SKIP | NP_OMP) - + NP_ORTHO | NP_TRI | NP_SKIP | NP_OMP); +// clang-format on #else #ifndef LMP_NPAIR_HALFFULL_NEWTON_OMP_H diff --git a/src/USER-OMP/npair_skip_omp.h b/src/USER-OMP/npair_skip_omp.h index d15ba59717..ce4a103943 100644 --- a/src/USER-OMP/npair_skip_omp.h +++ b/src/USER-OMP/npair_skip_omp.h @@ -15,42 +15,42 @@ // just forward the requests to the corresponding non-omp versions. #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(skip/omp, NPairSkip, NP_SKIP | NP_HALF | NP_FULL | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_OMP) + NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_OMP); NPairStyle(skip/half/respa/omp, NPairSkipRespa, NP_SKIP | NP_RESPA | NP_HALF | NP_FULL | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_OMP) + NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_OMP); NPairStyle(skip/half/size/omp, NPairSkipSize, NP_SKIP | NP_SIZE | NP_HALF | NP_FULL | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_OMP) + NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_OMP); NPairStyle(skip/size/off2on/omp, NPairSkipSizeOff2on, NP_SKIP | NP_SIZE | NP_OFF2ON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_MULTI_OLD | - NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_OMP) + NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_OMP); NPairStyle(skip/size/off2on/oneside/omp, NPairSkipSizeOff2onOneside, NP_SKIP | NP_SIZE | NP_OFF2ON | NP_ONESIDE | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_NEWTON | NP_NEWTOFF | - NP_ORTHO | NP_TRI | NP_OMP) + NP_ORTHO | NP_TRI | NP_OMP); NPairStyle(skip/ghost/omp, NPairSkip, NP_SKIP | NP_HALF | NP_FULL | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_OMP | NP_GHOST) - + NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_OMP | NP_GHOST); +// clang-format off #endif /* ERROR/WARNING messages: diff --git a/src/compute_deprecated.h b/src/compute_deprecated.h index 036a953262..a6d968fe23 100644 --- a/src/compute_deprecated.h +++ b/src/compute_deprecated.h @@ -12,9 +12,8 @@ ------------------------------------------------------------------------- */ #ifdef COMPUTE_CLASS - -// list all deprecated and removed compute styles here // clang-format off +// list all deprecated and removed compute styles here ComputeStyle(DEPRECATED,ComputeDeprecated); // clang-format on #else diff --git a/src/dump_deprecated.h b/src/dump_deprecated.h index b03f7d9f2b..cd5e1fc325 100644 --- a/src/dump_deprecated.h +++ b/src/dump_deprecated.h @@ -12,9 +12,8 @@ ------------------------------------------------------------------------- */ #ifdef DUMP_CLASS - -// list all deprecated and removed dump styles here // clang-format off +// list all deprecated and removed dump styles here DumpStyle(DEPRECATED,DumpDeprecated); // clang-format on #else diff --git a/src/fix_deprecated.h b/src/fix_deprecated.h index a887db6abf..619211bd81 100644 --- a/src/fix_deprecated.h +++ b/src/fix_deprecated.h @@ -12,9 +12,8 @@ ------------------------------------------------------------------------- */ #ifdef FIX_CLASS - -// list all deprecated and removed fix styles here // clang-format off +// list all deprecated and removed fix styles here FixStyle(DEPRECATED,FixDeprecated); FixStyle(ave/spatial,FixDeprecated); FixStyle(ave/spatial/sphere,FixDeprecated); diff --git a/src/nbin_multi.h b/src/nbin_multi.h index 7b79cf9653..ee1a27852b 100644 --- a/src/nbin_multi.h +++ b/src/nbin_multi.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NBIN_CLASS - +// clang-format off NBinStyle(multi, NBinMulti, - NB_MULTI) - + NB_MULTI); +// clang-format on #else #ifndef LMP_NBIN_MULTI_H diff --git a/src/nbin_standard.h b/src/nbin_standard.h index 54a6cf8358..0f6178c8a2 100644 --- a/src/nbin_standard.h +++ b/src/nbin_standard.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NBIN_CLASS - +// clang-format off NBinStyle(standard, NBinStandard, - NB_STANDARD) - + NB_STANDARD); +// clang-format on #else #ifndef LMP_NBIN_STANDARD_H diff --git a/src/npair_full_multi_old.h b/src/npair_full_multi_old.h index 5344a2f010..0964d5c0e6 100644 --- a/src/npair_full_multi_old.h +++ b/src/npair_full_multi_old.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(full/multi/old, NPairFullMultiOld, - NP_FULL | NP_MULTI_OLD | NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI) - + NP_FULL | NP_MULTI_OLD | NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_FULL_MULTI_OLD_H diff --git a/src/npair_half_multi_old_newtoff.h b/src/npair_half_multi_old_newtoff.h index 58b7b4883d..5bb7f98dff 100644 --- a/src/npair_half_multi_old_newtoff.h +++ b/src/npair_half_multi_old_newtoff.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/multi/old/newtoff, NPairHalfMultiOldNewtoff, - NP_HALF | NP_MULTI_OLD | NP_NEWTOFF | NP_ORTHO | NP_TRI) - + NP_HALF | NP_MULTI_OLD | NP_NEWTOFF | NP_ORTHO | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_HALF_MULTI_OLD_NEWTOFF_H diff --git a/src/npair_half_multi_old_newton.h b/src/npair_half_multi_old_newton.h index 388b2fe69c..45425586f2 100644 --- a/src/npair_half_multi_old_newton.h +++ b/src/npair_half_multi_old_newton.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/multi/old/newton, NPairHalfMultiOldNewton, - NP_HALF | NP_MULTI_OLD | NP_NEWTON | NP_ORTHO) - + NP_HALF | NP_MULTI_OLD | NP_NEWTON | NP_ORTHO); +// clang-format on #else #ifndef LMP_NPAIR_HALF_MULTI_OLD_NEWTON_H diff --git a/src/npair_half_multi_old_newton_tri.h b/src/npair_half_multi_old_newton_tri.h index 47502ab392..9efdb5a843 100644 --- a/src/npair_half_multi_old_newton_tri.h +++ b/src/npair_half_multi_old_newton_tri.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/multi/old/newton/tri, NPairHalfMultiOldNewtonTri, - NP_HALF | NP_MULTI_OLD | NP_NEWTON | NP_TRI) - + NP_HALF | NP_MULTI_OLD | NP_NEWTON | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_HALF_MULTI_OLD_NEWTON_TRI_H diff --git a/src/npair_half_size_multi_old_newtoff.h b/src/npair_half_size_multi_old_newtoff.h index 2bb9200989..68d9ba00b4 100644 --- a/src/npair_half_size_multi_old_newtoff.h +++ b/src/npair_half_size_multi_old_newtoff.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/size/multi/old/newtoff, NPairHalfSizeMultiOldNewtoff, - NP_HALF | NP_SIZE | NP_MULTI_OLD | NP_NEWTOFF | NP_ORTHO | NP_TRI) - + NP_HALF | NP_SIZE | NP_MULTI_OLD | NP_NEWTOFF | NP_ORTHO | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_HALF_SIZE_MULTI_OLD_NEWTOFF_H diff --git a/src/npair_half_size_multi_old_newton.h b/src/npair_half_size_multi_old_newton.h index 86a9bd8f00..2f4893b2e7 100644 --- a/src/npair_half_size_multi_old_newton.h +++ b/src/npair_half_size_multi_old_newton.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/size/multi/old/newton, NPairHalfSizeMultiOldNewton, - NP_HALF | NP_SIZE | NP_MULTI_OLD | NP_NEWTON | NP_ORTHO) - + NP_HALF | NP_SIZE | NP_MULTI_OLD | NP_NEWTON | NP_ORTHO); +// clang-format on #else #ifndef LMP_NPAIR_HALF_SIZE_MULTI_OLD_NEWTON_H diff --git a/src/npair_half_size_multi_old_newton_tri.h b/src/npair_half_size_multi_old_newton_tri.h index ee899a52fd..84958eb531 100644 --- a/src/npair_half_size_multi_old_newton_tri.h +++ b/src/npair_half_size_multi_old_newton_tri.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(half/size/multi/old/newton/tri, NPairHalfSizeMultiOldNewtonTri, - NP_HALF | NP_SIZE | NP_MULTI_OLD | NP_NEWTON | NP_TRI) - + NP_HALF | NP_SIZE | NP_MULTI_OLD | NP_NEWTON | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_HALF_SIZE_MULTI_OLD_NEWTON_TRI_H diff --git a/src/npair_halffull_newtoff.h b/src/npair_halffull_newtoff.h index 5126ced648..88e05ccdf5 100644 --- a/src/npair_halffull_newtoff.h +++ b/src/npair_halffull_newtoff.h @@ -12,27 +12,27 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(halffull/newtoff, NPairHalffullNewtoff, NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF | - NP_ORTHO | NP_TRI) + NP_ORTHO | NP_TRI); NPairStyle(halffull/newtoff/skip, NPairHalffullNewtoff, NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF | - NP_ORTHO | NP_TRI | NP_SKIP) + NP_ORTHO | NP_TRI | NP_SKIP); NPairStyle(halffull/newtoff/ghost, NPairHalffullNewtoff, NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF | - NP_ORTHO | NP_TRI | NP_GHOST) + NP_ORTHO | NP_TRI | NP_GHOST); NPairStyle(halffull/newtoff/skip/ghost, NPairHalffullNewtoff, NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF | - NP_ORTHO | NP_TRI | NP_SKIP | NP_GHOST) - + NP_ORTHO | NP_TRI | NP_SKIP | NP_GHOST); +// clang-format on #else #ifndef LMP_NPAIR_HALFFULL_NEWTOFF_H diff --git a/src/npair_halffull_newton.h b/src/npair_halffull_newton.h index cd7cd99d66..8cf32ea6e8 100644 --- a/src/npair_halffull_newton.h +++ b/src/npair_halffull_newton.h @@ -12,17 +12,17 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(halffull/newton, NPairHalffullNewton, NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_ORTHO | NP_TRI) + NP_ORTHO | NP_TRI); NPairStyle(halffull/newton/skip, NPairHalffullNewton, NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_ORTHO | NP_TRI | NP_SKIP) - + NP_ORTHO | NP_TRI | NP_SKIP); +// clang-format on #else #ifndef LMP_NPAIR_HALFFULL_NEWTON_H diff --git a/src/npair_skip.h b/src/npair_skip.h index 1aece9cffd..043d0c7ac1 100644 --- a/src/npair_skip.h +++ b/src/npair_skip.h @@ -12,19 +12,19 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(skip, NPairSkip, NP_SKIP | NP_HALF | NP_FULL | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI) + NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI); NPairStyle(skip/ghost, NPairSkip, NP_SKIP | NP_HALF | NP_FULL | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_GHOST) - + NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_GHOST); +// clang-format on #else #ifndef LMP_NPAIR_SKIP_H diff --git a/src/npair_skip_respa.h b/src/npair_skip_respa.h index 6414211c3f..9917194256 100644 --- a/src/npair_skip_respa.h +++ b/src/npair_skip_respa.h @@ -12,13 +12,13 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(skip/half/respa, NPairSkipRespa, NP_SKIP | NP_RESPA | NP_HALF | NP_FULL | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI) - + NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_SKIP_RESPA_H diff --git a/src/npair_skip_size.h b/src/npair_skip_size.h index 7ecabfc5b3..f8af7ded9c 100644 --- a/src/npair_skip_size.h +++ b/src/npair_skip_size.h @@ -12,12 +12,12 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(skip/half/size, NPairSkipSize, NP_SKIP | NP_SIZE | NP_HALF | NP_FULL | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI) - + NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_SKIP_SIZE_H diff --git a/src/npair_skip_size_off2on.h b/src/npair_skip_size_off2on.h index bd3b428dfe..cd5abec115 100644 --- a/src/npair_skip_size_off2on.h +++ b/src/npair_skip_size_off2on.h @@ -12,13 +12,13 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(skip/size/off2on, NPairSkipSizeOff2on, NP_SKIP | NP_SIZE | NP_OFF2ON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | - NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI) - + NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_SKIP_SIZE_OFF2ON_H diff --git a/src/npair_skip_size_off2on_oneside.h b/src/npair_skip_size_off2on_oneside.h index 5a95b95fae..f79e1e31c6 100644 --- a/src/npair_skip_size_off2on_oneside.h +++ b/src/npair_skip_size_off2on_oneside.h @@ -12,13 +12,13 @@ ------------------------------------------------------------------------- */ #ifdef NPAIR_CLASS - +// clang-format off NPairStyle(skip/size/off2on/oneside, NPairSkipSizeOff2onOneside, NP_SKIP | NP_SIZE | NP_OFF2ON | NP_ONESIDE | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_NEWTON | NP_NEWTOFF | - NP_ORTHO | NP_TRI) - + NP_ORTHO | NP_TRI); +// clang-format on #else #ifndef LMP_NPAIR_SKIP_SIZE_OFF2ON_ONESIDE_H diff --git a/src/nstencil_full_bin_2d.h b/src/nstencil_full_bin_2d.h index 9e6678f1cb..82f11b79db 100644 --- a/src/nstencil_full_bin_2d.h +++ b/src/nstencil_full_bin_2d.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(full/bin/2d, NStencilFullBin2d, - NS_FULL | NS_BIN | NS_2D | NS_ORTHO | NS_TRI) - + NS_FULL | NS_BIN | NS_2D | NS_ORTHO | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_FULL_BIN_2D_H diff --git a/src/nstencil_full_bin_3d.h b/src/nstencil_full_bin_3d.h index 9e61976462..7622bba126 100644 --- a/src/nstencil_full_bin_3d.h +++ b/src/nstencil_full_bin_3d.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(full/bin/3d, NStencilFullBin3d, - NS_FULL | NS_BIN | NS_3D | NS_ORTHO | NS_TRI) - + NS_FULL | NS_BIN | NS_3D | NS_ORTHO | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_FULL_BIN_3D_H diff --git a/src/nstencil_full_ghost_bin_2d.h b/src/nstencil_full_ghost_bin_2d.h index adfbaab39c..b9ab2b5837 100644 --- a/src/nstencil_full_ghost_bin_2d.h +++ b/src/nstencil_full_ghost_bin_2d.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(full/ghost/bin/2d, NStencilFullGhostBin2d, - NS_FULL | NS_GHOST | NS_BIN | NS_2D | NS_ORTHO | NS_TRI) - + NS_FULL | NS_GHOST | NS_BIN | NS_2D | NS_ORTHO | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_FULL_GHOST_BIN_2D_H diff --git a/src/nstencil_full_ghost_bin_3d.h b/src/nstencil_full_ghost_bin_3d.h index 675ba8d567..e64a7464c9 100644 --- a/src/nstencil_full_ghost_bin_3d.h +++ b/src/nstencil_full_ghost_bin_3d.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(full/ghost/bin/3d, NStencilFullGhostBin3d, - NS_FULL | NS_GHOST | NS_BIN | NS_3D | NS_ORTHO | NS_TRI) - + NS_FULL | NS_GHOST | NS_BIN | NS_3D | NS_ORTHO | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_FULL_GHOST_BIN_3D_H diff --git a/src/nstencil_full_multi_2d.h b/src/nstencil_full_multi_2d.h index ba6cd22a39..6fea1af6c3 100644 --- a/src/nstencil_full_multi_2d.h +++ b/src/nstencil_full_multi_2d.h @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(full/multi/2d, - NStencilFullMulti2d, NS_FULL | NS_MULTI | NS_2D | NS_ORTHO | NS_TRI) - + NStencilFullMulti2d, NS_FULL | NS_MULTI | NS_2D | NS_ORTHO | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_FULL_MULTI_2D_H diff --git a/src/nstencil_full_multi_3d.h b/src/nstencil_full_multi_3d.h index d02a8b3588..8b9b7dba8e 100644 --- a/src/nstencil_full_multi_3d.h +++ b/src/nstencil_full_multi_3d.h @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(full/multi/3d, - NStencilFullMulti3d, NS_FULL | NS_MULTI | NS_3D | NS_ORTHO | NS_TRI) - + NStencilFullMulti3d, NS_FULL | NS_MULTI | NS_3D | NS_ORTHO | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_FULL_MULTI_3D_H diff --git a/src/nstencil_full_multi_old_2d.h b/src/nstencil_full_multi_old_2d.h index 69829f47f1..47e2b80c69 100644 --- a/src/nstencil_full_multi_old_2d.h +++ b/src/nstencil_full_multi_old_2d.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(full/multi/old/2d, NStencilFullMultiOld2d, - NS_FULL | NS_MULTI_OLD | NS_2D | NS_ORTHO | NS_TRI) - + NS_FULL | NS_MULTI_OLD | NS_2D | NS_ORTHO | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_FULL_MULTI_OLD_2D_H diff --git a/src/nstencil_full_multi_old_3d.h b/src/nstencil_full_multi_old_3d.h index 9c760682d0..630580dc4b 100644 --- a/src/nstencil_full_multi_old_3d.h +++ b/src/nstencil_full_multi_old_3d.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(full/multi/old/3d, NStencilFullMultiOld3d, - NS_FULL | NS_MULTI_OLD | NS_3D | NS_ORTHO | NS_TRI) - + NS_FULL | NS_MULTI_OLD | NS_3D | NS_ORTHO | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_FULL_MULTI_OLD_3D_H diff --git a/src/nstencil_half_bin_2d.h b/src/nstencil_half_bin_2d.h index fe5f4cf2da..1de488b5cc 100644 --- a/src/nstencil_half_bin_2d.h +++ b/src/nstencil_half_bin_2d.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/bin/2d, NStencilHalfBin2d, - NS_HALF | NS_BIN | NS_2D | NS_ORTHO) - + NS_HALF | NS_BIN | NS_2D | NS_ORTHO); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_BIN_2D_H diff --git a/src/nstencil_half_bin_2d_tri.h b/src/nstencil_half_bin_2d_tri.h index 1826e8807c..53fa9afbd6 100644 --- a/src/nstencil_half_bin_2d_tri.h +++ b/src/nstencil_half_bin_2d_tri.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/bin/2d/tri, NStencilHalfBin2dTri, - NS_HALF | NS_BIN | NS_2D | NS_TRI) - + NS_HALF | NS_BIN | NS_2D | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_BIN_2D_TRI_H diff --git a/src/nstencil_half_bin_3d.h b/src/nstencil_half_bin_3d.h index ae0f0d89f1..e880c06929 100644 --- a/src/nstencil_half_bin_3d.h +++ b/src/nstencil_half_bin_3d.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/bin/3d, NStencilHalfBin3d, - NS_HALF | NS_BIN | NS_3D | NS_ORTHO) - + NS_HALF | NS_BIN | NS_3D | NS_ORTHO); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_BIN_3D_H diff --git a/src/nstencil_half_bin_3d_tri.h b/src/nstencil_half_bin_3d_tri.h index 324182ed73..1e1c28afdf 100644 --- a/src/nstencil_half_bin_3d_tri.h +++ b/src/nstencil_half_bin_3d_tri.h @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/bin/3d/tri, NStencilHalfBin3dTri, - NS_HALF | NS_BIN | NS_3D | NS_TRI) - + NS_HALF | NS_BIN | NS_3D | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_BIN_3D_TRI_H diff --git a/src/nstencil_half_multi_2d.h b/src/nstencil_half_multi_2d.h index 1e10e50411..456083c223 100644 --- a/src/nstencil_half_multi_2d.h +++ b/src/nstencil_half_multi_2d.h @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/multi/2d, - NStencilHalfMulti2d, NS_HALF | NS_MULTI | NS_2D | NS_ORTHO) - + NStencilHalfMulti2d, NS_HALF | NS_MULTI | NS_2D | NS_ORTHO); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_MULTI_2D_H diff --git a/src/nstencil_half_multi_2d_tri.h b/src/nstencil_half_multi_2d_tri.h index d04424478a..e12b96fc6f 100644 --- a/src/nstencil_half_multi_2d_tri.h +++ b/src/nstencil_half_multi_2d_tri.h @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/multi/2d/tri, - NStencilHalfMulti2dTri, NS_HALF | NS_MULTI | NS_2D | NS_TRI) - + NStencilHalfMulti2dTri, NS_HALF | NS_MULTI | NS_2D | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_MULTI_2D_TRI_H diff --git a/src/nstencil_half_multi_3d.h b/src/nstencil_half_multi_3d.h index b86d7a3ad8..7ab25482a6 100644 --- a/src/nstencil_half_multi_3d.h +++ b/src/nstencil_half_multi_3d.h @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/multi/3d, - NStencilHalfMulti3d, NS_HALF | NS_MULTI | NS_3D | NS_ORTHO) - + NStencilHalfMulti3d, NS_HALF | NS_MULTI | NS_3D | NS_ORTHO); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_MULTI_3D_H diff --git a/src/nstencil_half_multi_3d_tri.h b/src/nstencil_half_multi_3d_tri.h index 59e66a0530..5b673ee3db 100644 --- a/src/nstencil_half_multi_3d_tri.h +++ b/src/nstencil_half_multi_3d_tri.h @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/multi/3d/tri, - NStencilHalfMulti3dTri, NS_HALF | NS_MULTI | NS_3D | NS_TRI) - + NStencilHalfMulti3dTri, NS_HALF | NS_MULTI | NS_3D | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_MULTI_3D_TRI_H diff --git a/src/nstencil_half_multi_old_2d.h b/src/nstencil_half_multi_old_2d.h index c64e805ca1..b75590bf52 100644 --- a/src/nstencil_half_multi_old_2d.h +++ b/src/nstencil_half_multi_old_2d.h @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/multi/old/2d, - NStencilHalfMultiOld2d, NS_HALF | NS_MULTI_OLD | NS_2D | NS_ORTHO) - + NStencilHalfMultiOld2d, NS_HALF | NS_MULTI_OLD | NS_2D | NS_ORTHO); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_MULTI_OLD_2D_H diff --git a/src/nstencil_half_multi_old_2d_tri.h b/src/nstencil_half_multi_old_2d_tri.h index 23765b9167..253aec6d49 100644 --- a/src/nstencil_half_multi_old_2d_tri.h +++ b/src/nstencil_half_multi_old_2d_tri.h @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/multi/old/2d/tri, - NStencilHalfMultiOld2dTri, NS_HALF | NS_MULTI_OLD | NS_2D | NS_TRI) - + NStencilHalfMultiOld2dTri, NS_HALF | NS_MULTI_OLD | NS_2D | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_MULTI_OLD_2D_TRI_H diff --git a/src/nstencil_half_multi_old_3d.h b/src/nstencil_half_multi_old_3d.h index 1c49216f82..da5288f910 100644 --- a/src/nstencil_half_multi_old_3d.h +++ b/src/nstencil_half_multi_old_3d.h @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/multi_old/3d, - NStencilHalfMultiOld3d, NS_HALF | NS_MULTI_OLD | NS_3D | NS_ORTHO) - + NStencilHalfMultiOld3d, NS_HALF | NS_MULTI_OLD | NS_3D | NS_ORTHO); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_MULTI_OLD_3D_H diff --git a/src/nstencil_half_multi_old_3d_tri.h b/src/nstencil_half_multi_old_3d_tri.h index d365f28e56..7bd289a4de 100644 --- a/src/nstencil_half_multi_old_3d_tri.h +++ b/src/nstencil_half_multi_old_3d_tri.h @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #ifdef NSTENCIL_CLASS - +// clang-format off NStencilStyle(half/multi/old/3d/tri, - NStencilHalfMultiOld3dTri, NS_HALF | NS_MULTI_OLD | NS_3D | NS_TRI) - + NStencilHalfMultiOld3dTri, NS_HALF | NS_MULTI_OLD | NS_3D | NS_TRI); +// clang-format on #else #ifndef LMP_NSTENCIL_HALF_MULTI_OLD_3D_TRI_H diff --git a/src/region_deprecated.h b/src/region_deprecated.h index 374f01ddfc..53027bcd70 100644 --- a/src/region_deprecated.h +++ b/src/region_deprecated.h @@ -12,9 +12,8 @@ ------------------------------------------------------------------------- */ #ifdef REGION_CLASS - -// list all deprecated and removed region styles here // clang-format off +// list all deprecated and removed region styles here RegionStyle(DEPRECATED,RegionDeprecated); // clang-format on #else diff --git a/unittest/force-styles/tests/manybody-pair-tersoff.yaml b/unittest/force-styles/tests/manybody-pair-tersoff.yaml index 8ebf41524e..5876ba1b5d 100644 --- a/unittest/force-styles/tests/manybody-pair-tersoff.yaml +++ b/unittest/force-styles/tests/manybody-pair-tersoff.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:09:20 2021 -epsilon: 1e-11 +epsilon: 2e-11 prerequisites: ! | pair tersoff pre_commands: ! | diff --git a/unittest/force-styles/tests/mol-pair-buck.yaml b/unittest/force-styles/tests/mol-pair-buck.yaml index 6f4cd2474b..49445a9046 100644 --- a/unittest/force-styles/tests/mol-pair-buck.yaml +++ b/unittest/force-styles/tests/mol-pair-buck.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:08:40 2021 -epsilon: 6e-14 +epsilon: 1.5e-13 prerequisites: ! | atom full pair buck diff --git a/unittest/force-styles/tests/mol-pair-buck_coul_cut.yaml b/unittest/force-styles/tests/mol-pair-buck_coul_cut.yaml index 5784f2e82b..7ed68a797e 100644 --- a/unittest/force-styles/tests/mol-pair-buck_coul_cut.yaml +++ b/unittest/force-styles/tests/mol-pair-buck_coul_cut.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:08:40 2021 -epsilon: 5e-14 +epsilon: 2e-13 prerequisites: ! | atom full pair buck/coul/cut