first attempt to port fix halt to minimizations
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@ -135,8 +135,7 @@ files"_restart.html. None of the "fix_modify"_fix_modify.html options
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are relevant to this fix. No global or per-atom quantities are stored
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by this fix for access by various "output commands"_Howto_output.html.
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No parameter of this fix can be used with the {start/stop} keywords of
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the "run"_run.html command. This fix is not invoked during "energy
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minimization"_minimize.html.
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the "run"_run.html command.
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[Restrictions:] none
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@ -143,6 +143,13 @@ void FixHalt::init()
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/* ---------------------------------------------------------------------- */
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void FixHalt::min_step(double, double *)
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{
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if ((update->ntimestep % nevery) == 0) end_of_step();
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}
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/* ---------------------------------------------------------------------- */
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void FixHalt::end_of_step()
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{
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// variable evaluation may invoke computes so wrap with clear/add
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@ -32,6 +32,7 @@ class FixHalt : public Fix {
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int setmask();
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void init();
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void end_of_step();
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void min_step(double, double *);
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void post_run();
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private:
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