From 0aae09bf799c631e986c1df80742e3a233691f76 Mon Sep 17 00:00:00 2001
From: sjplimp
No information about this fix is written to binary restart files. None of the fix_modify options -are relevant to this fix. No global or per-atom quantities are stored -by this fix for access by various output -commands. No parameter of this fix can -be used with the start/stop keywords of the run command. -This fix is not invoked during energy minimization. +are relevant to this fix. +
+This fix computes a global scalar which can be accessed by various +output commands. The scalar is the +distance the group is moved by fix recenter. +
+This fix also computes global 3-vector which can be accessed by +various output commands. The 3 +quantities in the vector are xyz components of displacement applied to +the group of atoms by the fix. +
+The scalar and vector values calculated by this fix are "extensive". +
+No parameter of this fix can be used with the start/stop keywords of +the run command. This fix is not invoked during energy +minimization.
Restrictions:
diff --git a/doc/fix_recenter.txt b/doc/fix_recenter.txt index bba7730727..ef3c90ba0b 100644 --- a/doc/fix_recenter.txt +++ b/doc/fix_recenter.txt @@ -91,11 +91,22 @@ to tether the molecule in place. No information about this fix is written to "binary restart files"_restart.html. None of the "fix_modify"_fix_modify.html options -are relevant to this fix. No global or per-atom quantities are stored -by this fix for access by various "output -commands"_Section_howto.html#howto_15. No parameter of this fix can -be used with the {start/stop} keywords of the "run"_run.html command. -This fix is not invoked during "energy minimization"_minimize.html. +are relevant to this fix. + +This fix computes a global scalar which can be accessed by various +"output commands"_Section_howto.html#howto_15. The scalar is the +distance the group is moved by fix recenter. + +This fix also computes global 3-vector which can be accessed by +various "output commands"_Section_howto.html#howto_15. The 3 +quantities in the vector are xyz components of displacement applied to +the group of atoms by the fix. + +The scalar and vector values calculated by this fix are "extensive". + +No parameter of this fix can be used with the {start/stop} keywords of +the "run"_run.html command. This fix is not invoked during "energy +minimization"_minimize.html. [Restrictions:]