diff --git a/doc/neb.html b/doc/neb.html index b605a66c06..67a4ed5961 100644 --- a/doc/neb.html +++ b/doc/neb.html @@ -164,6 +164,10 @@ configurations along the MEP.
A few other settings in your input script are required or advised to perform a NEB calculation.
+An atom map must be defined which it is not by default for atom_style +atomic problems. The atom_modify +map command can be used to do this. +
The "atom_modify sort 0 0.0" command should be used to turn off atom sorting.
diff --git a/doc/neb.txt b/doc/neb.txt index e1a1ec5e70..1e9cb0e20f 100644 --- a/doc/neb.txt +++ b/doc/neb.txt @@ -161,6 +161,10 @@ configurations along the MEP. A few other settings in your input script are required or advised to perform a NEB calculation. +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.