diff --git a/doc/fix_spring_self.html b/doc/fix_spring_self.html index 51e4869d0c..6410e9b53c 100644 --- a/doc/fix_spring_self.html +++ b/doc/fix_spring_self.html @@ -41,12 +41,25 @@ same in a restarted simulation. See the a fix in an input script that reads a restart file, so that the operation of the fix continues in an uninterrupted fashion.
-None of the fix_modify options are relevant to this -fix. No global scalar or vector 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. +
The fix_modify energy option is supported by this +fix to add the energy stored in the per-atom springs to the system's +potential energy as part of thermodynamic output. +
+This fix computes a scalar energy which can be accessed by various +output commands. The scalar value +calculated by this fix is "extensive", meaning it scales with the +number of atoms in the simulation. +
+No parameter of this fix can be used with the start/stop keywords of +the run command. +
+The forces due to this fix are imposed during an energy minimization, +invoked by the minimize command. +
+IMPORTANT NOTE: If you want the per-atom spring energy to be included +in the total potential energy of the system (the quantity being +minimized), you MUST enable the fix_modify energy +option for this fix.
Restrictions: none
diff --git a/doc/fix_spring_self.txt b/doc/fix_spring_self.txt index 3b8436f7bd..5d4422021d 100644 --- a/doc/fix_spring_self.txt +++ b/doc/fix_spring_self.txt @@ -38,12 +38,25 @@ same in a restarted simulation. See the a fix in an input script that reads a restart file, so that the operation of the fix continues in an uninterrupted fashion. -None of the "fix_modify"_fix_modify.html options are relevant to this -fix. No global scalar or vector or per-atom quantities are stored by -this fix for access by various "output -commands"_Section_howto.html#4_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. +The "fix_modify"_fix_modify.html {energy} option is supported by this +fix to add the energy stored in the per-atom springs to the system's +potential energy as part of "thermodynamic output"_thermo_style.html. + +This fix computes a scalar energy which can be accessed by various +"output commands"_Section_howto.html#4_15. The scalar value +calculated by this fix is "extensive", meaning it scales with the +number of atoms in the simulation. + +No parameter of this fix can be used with the {start/stop} keywords of +the "run"_run.html command. + +The forces due to this fix are imposed during an energy minimization, +invoked by the "minimize"_minimize.html command. + +IMPORTANT NOTE: If you want the per-atom spring energy to be included +in the total potential energy of the system (the quantity being +minimized), you MUST enable the "fix_modify"_fix_modify.html {energy} +option for this fix. [Restrictions:] none