diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt index e7c1a67fe3aac43ebe7a29788e98a9ec2157962a..a3a5665fa886cf319dff542427ae067dce4579a6 100644 --- a/doc/src/Build_extras.txt +++ b/doc/src/Build_extras.txt @@ -279,9 +279,13 @@ the compiler you use on your system to build LATTE. MEAM package :h4,link(meam) -NOTE: You should test building the MEAM library with both the Intel -and GNU compilers to see if a simulation runs faster with one versus -the other on your system. +NOTE: the use of the MEAM package is discouraged, as it has been +superseded by the USER-MEAMC package, which is a direct translation of +the Fortran code in the MEAM library to C++. The code in USER-MEAMC is +functionally completely equivalent, fully supports use in "pair_style +hybrid"_pair_hybrid.html, and has optimizations (e.g. no translations of +data structures or neighbor lists are required) that make it +significantly faster than the MEAM package. [CMake build]: @@ -423,6 +427,11 @@ process. You should only need to create a new Makefile.lammps.* file REAX package :h4,link(reax) +NOTE: the use of the REAX package is discouraged, as it is no longer +maintained. Please use the USER-REAX package instead, and possibly the +KOKKOS enabled variant of that, which has a more robust memory +management. + [CMake build]: -D PKG_REAX=on # enable REAX package :pre diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt index 33d1df06ec854bbb574575547006189e4a090c8b..46948a88b7219f81c063e82bea8df060f8aba46c 100644 --- a/doc/src/Packages_details.txt +++ b/doc/src/Packages_details.txt @@ -530,11 +530,12 @@ MEAM package :link(PKG-MEAM),h4 A pair style for the modified embedded atom (MEAM) potential. -Please note that the MEAM package has been superseded by the -"USER-MEAMC"_#PKG-USER-MEAMC package, which is a direct translation -of the MEAM package to C++. USER-MEAMC contains additional -optimizations making it run faster than MEAM on most machines, -while providing the identical features and USER interface. +Please note that the use of the MEAM package is discouraged as +it has been superseded by the "USER-MEAMC"_#PKG-USER-MEAMC package, +which is a direct translation of the MEAM package to C++. +USER-MEAMC contains additional optimizations making it run faster +than MEAM on most machines, while providing the identical features +and user interface. [Author:] Greg Wagner (Northwestern U) while at Sandia. @@ -807,11 +808,15 @@ REAX package :link(PKG-REAX),h4 [Contents:] +NOTE: the use of the REAX package is discouraged, as it is no longer +maintained. Please use the "USER-REAXC"_#PKG-USER-REAXC package instead, +and possibly the KOKKOS enabled variant of that, which has a more robust +memory management. + A pair style which wraps a Fortran library which implements the ReaxFF -potential, which is a universal reactive force field. See the -"USER-REAXC package"_#PKG-USER-REAXC for an alternate implementation in -C/C++. Also a "fix reax/bonds"_fix_reax_bonds.html command for -monitoring molecules as bonds are created and destroyed. +potential, which is a universal reactive force field. Also included is +a "fix reax/bonds"_fix_reax_bonds.html command for monitoring molecules +as bonds are created and destroyed. [Author:] Aidan Thompson (Sandia).