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 |
-1.013262362903333e-09 |
PASS |
| Energy [step 2] |
-1.058156235008336e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285460626831991e-09 |
PASS |
| Energy [step 3] |
-1.058143100320453e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484927736328245e-09 |
PASS |
| Energy [step 4] |
-1.058131936460799e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.206688331009900e-09 |
PASS |
| Forces [step 1] |
-1.538556239289451e-01 |
-1.538555154672571e-01 |
1.190000000000000e-07 |
-1.084616879920564e-07 |
PASS |
| Forces [step 2] |
-1.732296851461494e-01 |
-1.732297733830663e-01 |
9.710000000000000e-08 |
8.823691691195457e-08 |
PASS |
| Forces [step 3] |
-1.918349264859133e-01 |
-1.918348057889193e-01 |
1.330000000000000e-07 |
-1.206969940104052e-07 |
PASS |
| Forces [step 4] |
-2.092373884891997e-01 |
-2.092371333696214e-01 |
2.830000000000000e-07 |
-2.551195782685145e-07 |
PASS |