Loading doc/neb.html +4 −0 Original line number Diff line number Diff line Loading @@ -164,6 +164,10 @@ configurations along the MEP. <P>A few other settings in your input script are required or advised to perform a NEB calculation. </P> <P>An atom map must be defined which it is not by default for <A HREF = "atom_style.html">atom_style atomic</A> problems. The <A HREF = "atom_modify.html">atom_modify map</A> command can be used to do this. </P> <P>The "atom_modify sort 0 0.0" command should be used to turn off atom sorting. </P> Loading doc/neb.txt +4 −0 Original line number Diff line number Diff line Loading @@ -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. Loading Loading
doc/neb.html +4 −0 Original line number Diff line number Diff line Loading @@ -164,6 +164,10 @@ configurations along the MEP. <P>A few other settings in your input script are required or advised to perform a NEB calculation. </P> <P>An atom map must be defined which it is not by default for <A HREF = "atom_style.html">atom_style atomic</A> problems. The <A HREF = "atom_modify.html">atom_modify map</A> command can be used to do this. </P> <P>The "atom_modify sort 0 0.0" command should be used to turn off atom sorting. </P> Loading
doc/neb.txt +4 −0 Original line number Diff line number Diff line Loading @@ -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. Loading
