Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058171294472506e+01 |
-1.058171294371180e+01 |
1.110000000000000e-09 |
-1.013257033832815e-09 |
PASS |
| Energy [step 2] |
-1.058156235008338e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285483719470903e-09 |
PASS |
| Energy [step 3] |
-1.058143100320452e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484920630900888e-09 |
PASS |
| Energy [step 4] |
-1.058131936460659e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.205288561820453e-09 |
PASS |
| Forces [step 1] |
-1.538556239289348e-01 |
-1.538555154672500e-01 |
1.190000000000000e-07 |
-1.084616848279207e-07 |
PASS |
| Forces [step 2] |
-1.732296851461176e-01 |
-1.732297733830400e-01 |
9.710000000000000e-08 |
8.823692235204739e-08 |
PASS |
| Forces [step 3] |
-1.918349264618499e-01 |
-1.918348057943300e-01 |
1.330000000000000e-07 |
-1.206675198650586e-07 |
PASS |
| Forces [step 4] |
-2.092373907033875e-01 |
-2.092371340942830e-01 |
2.830000000000000e-07 |
-2.566091044930996e-07 |
PASS |