Recognize Drude particles, improve handling of lone pairs #465
Job | Run time |
---|---|
10m 19s | |
8m 44s | |
5m 30s | |
9m 8s | |
6m 21s | |
8m 31s | |
21m 19s | |
24m 40s | |
18m 47s | |
1h 53m 19s |
Job | Run time |
---|---|
10m 19s | |
8m 44s | |
5m 30s | |
9m 8s | |
6m 21s | |
8m 31s | |
21m 19s | |
24m 40s | |
18m 47s | |
1h 53m 19s |