Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058171294472506e+01 |
-1.058171294371180e+01 |
1.110000000000000e-09 |
-1.013258810189654e-09 |
PASS |
| Energy [step 2] |
-1.058156235008335e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285451745047794e-09 |
PASS |
| Energy [step 3] |
-1.058143100320451e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484911749116691e-09 |
PASS |
| Energy [step 4] |
-1.058131936460896e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.207659998201052e-09 |
PASS |
| Forces [step 1] |
-1.538556239289431e-01 |
-1.538555154672571e-01 |
1.190000000000000e-07 |
-1.084616860491661e-07 |
PASS |
| Forces [step 2] |
-1.732296851462243e-01 |
-1.732297733830663e-01 |
9.710000000000000e-08 |
8.823684199965598e-08 |
PASS |
| Forces [step 3] |
-1.918349264831951e-01 |
-1.918348057889193e-01 |
1.330000000000000e-07 |
-1.206942758513740e-07 |
PASS |
| Forces [step 4] |
-2.092373889408723e-01 |
-2.092371333696214e-01 |
2.830000000000000e-07 |
-2.555712509400010e-07 |
PASS |