Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058171294269852e+01 |
-1.058171294371180e+01 |
1.110000000000000e-09 |
1.013283679185406e-09 |
PASS |
| Energy [step 2] |
-1.058156234751243e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
1.285471284973028e-09 |
PASS |
| Energy [step 3] |
-1.058143100023471e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
1.484893985548297e-09 |
PASS |
| Energy [step 4] |
-1.058131935619302e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
4.208283499451682e-09 |
PASS |
| Forces [step 1] |
-1.538554070055848e-01 |
-1.538555154672500e-01 |
1.190000000000000e-07 |
1.084616652324843e-07 |
PASS |
| Forces [step 2] |
-1.732298616200699e-01 |
-1.732297733830400e-01 |
9.710000000000000e-08 |
-8.823702987714732e-08 |
PASS |
| Forces [step 3] |
-1.918346850903423e-01 |
-1.918348057943300e-01 |
1.330000000000000e-07 |
1.207039876660598e-07 |
PASS |
| Forces [step 4] |
-2.092368772955975e-01 |
-2.092371340942830e-01 |
2.830000000000000e-07 |
2.567986855384063e-07 |
PASS |