Add percentage of atoms within cutoff radius when using LAMMPS reference version

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-02-25 14:40:33 +01:00
parent e637a26844
commit ed2929c813
4 changed files with 21 additions and 3 deletions

View File

@@ -28,6 +28,8 @@
typedef struct {
long long int total_force_neighs;
long long int total_force_iters;
long long int atoms_within_cutoff;
long long int atoms_outside_cutoff;
} Stats;
void initStats(Stats *s);