Add percentage of atoms within cutoff radius when using GROMACS reference version
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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@@ -29,6 +29,8 @@ typedef struct {
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long long int calculated_forces;
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long long int num_neighs;
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long long int force_iters;
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long long int atoms_within_cutoff;
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long long int atoms_outside_cutoff;
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} Stats;
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void initStats(Stats *s);
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