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Fixed test function for comparisons with CPPTRAJ #29

Fixed test function for comparisons with CPPTRAJ

Fixed test function for comparisons with CPPTRAJ #29

Job Run time
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8s
12s
12s
7s
7s
2m 11s
2m 11s
1m 58s
1m 58s
2m 8s
2m 8s
2m 23s
2m 23s
1m 0s
1m 0s
1m 59s
1m 59s
59s
59s
2m 26s
2m 26s
59s
59s
3m 8s
3m 8s
3m 9s
3m 9s
3m 3s
3m 3s
0s
0s
51m 44s