added atom mapping to cp2k #389
Job | Run time |
---|---|
1m 54s | |
1m 59s | |
1m 50s | |
2m 30s | |
3m 47s | |
2m 35s | |
3m 10s | |
3m 27s | |
4m 10s | |
58s | |
1m 42s | |
1m 34s | |
29m 36s |
Job | Run time |
---|---|
1m 54s | |
1m 59s | |
1m 50s | |
2m 30s | |
3m 47s | |
2m 35s | |
3m 10s | |
3m 27s | |
4m 10s | |
58s | |
1m 42s | |
1m 34s | |
29m 36s |