Commit 6fedf8d8 authored by sjplimp's avatar sjplimp
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15662 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 56b0856e
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@@ -57,9 +57,6 @@ would see with one or more physical processors per replica. See
"Section 6.5"_Section_howto.html#howto_5 of the manual for further
discussion.

NOTE: The current NEB implementation in LAMMPS only allows there to be
one processor per replica.

NOTE: As explained below, a NEB calculation perfoms a damped dynamics
minimization across all the replicas.  The mimimizer uses whatever
timestep you have defined in your input script, via the
@@ -255,12 +252,6 @@ An atom map must be defined which it is not by default for "atom_style
atomic"_atom_style.html problems.  The "atom_modify
map"_atom_modify.html command can be used to do this.

The "atom_modify sort 0 0.0" command should be used to turn off atom
sorting.

NOTE: This sorting restriction will be removed in a future version of
NEB in LAMMPS.

The minimizers in LAMMPS operate on all atoms in your system, even
non-NEB atoms, as defined above.  To prevent non-NEB atoms from moving
during the minimization, you should use the "fix