diff --git a/doc/src/Commands.txt b/doc/src/Commands.txt index bb3fab3683..bcbbe524a8 100644 --- a/doc/src/Commands.txt +++ b/doc/src/Commands.txt @@ -33,6 +33,11 @@ commands in it are used to define a LAMMPS simulation. Commands_bond Commands_kspace +.. toctree:: + :maxdepth: 1 + + Commands_removed + END_RST --> @@ -49,5 +54,7 @@ END_RST --> "Bond, angle, dihedral, improper commands"_Commands_bond.html "KSpace solvers"_Commands_kspace.html :all(b) +"Removed commands and packages"_Commands_removed.html :all(b) + diff --git a/doc/src/Commands_removed.txt b/doc/src/Commands_removed.txt new file mode 100644 index 0000000000..dc41c81981 --- /dev/null +++ b/doc/src/Commands_removed.txt @@ -0,0 +1,55 @@ +"Higher level section"_Commands.html - "LAMMPS WWW Site"_lws - "LAMMPS +Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Commands.html) + +:line + +Removed commands and packages :h3 + +This page lists LAMMPS commands and packages that have been removed from +the distribution and provides suggestions for alternatives or replacements. + +Fix ave/spatial and fix ave/spatial/sphere :h4 + +The fixes ave/spatial and ave/spatial/sphere have been removed from LAMMPS +since they were superseded by the more general and extensible "chunk +infrastructure". Here the system is partitioned in one of many possible +ways through the "compute chunk/atom"_compute_chunk_atom.html command +and then averaging is done using "fix ave/chunk"_fix_ave_chunk.html. +Please refer to the "chunk HOWTO"_Howto_chunk.html section for an overview. + +MEAM package :h4 + +The MEAM package has been removed since it was superseded by the +"USER-MEAMC package"_Package_details.html#PKG-USER-MEAMC. The code in +the USER-MEAMC package is a translation of the Fortran code of MEAM into C++, +which removes several restrictions (e.g. there can be multiple instances +in hybrid pair styles) and allows for some optimizations leading +to better performance. The new pair style "meam/c"_pair_meamc.html has +the exact same syntax as the old "meam" pair style and thus pair style +"meam"_pair_meamc.html is an alias to the new style and backward +compatibility of old inputs is preserved. + +REAX package :h4 + +The REAX package has been removed since it was superseded by the +"USER-REAXC package"_Package_details.html#PKG-USER-REAXC. The USER-REAXC +package has been tested to yield equivalent results to the REAX package, +offers better performance, supports OpenMP multi-threading via USER-OMP, +and GPU and threading parallelization through KOKKOS. The new pair styles +are not syntax compatible with the removed reax pair style, so input +files will have to be adapted. + +USER-CUDA package :h4 + +The USER-CUDA package had been removed, since it had been unmaintained +for a long time and had known bugs and problems. Significant parts of +the design were transferred to the +"KOKKOS package"_Package_details.html#PKG-KOKKOS, which has similar +performance characteristics on Nvidia GPUs. Both, the KOKKOS +and the "GPU package"_Package_details.html#PKG-GPU are maintained +and allow running LAMMPS with GPU acceleration. +