Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058171294472508e+01 |
-1.058171294371180e+01 |
1.110000000000000e-09 |
-1.013281902828567e-09 |
PASS |
| Energy [step 2] |
-1.058156235008338e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285476614043546e-09 |
PASS |
| Energy [step 3] |
-1.058143100320452e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484918854544048e-09 |
PASS |
| Energy [step 4] |
-1.058131936460718e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.205883641361652e-09 |
PASS |
| Forces [step 1] |
-1.538556239289454e-01 |
-1.538555154672571e-01 |
1.190000000000000e-07 |
-1.084616882973677e-07 |
PASS |
| Forces [step 2] |
-1.732296851461166e-01 |
-1.732297733830663e-01 |
9.710000000000000e-08 |
8.823694969128937e-08 |
PASS |
| Forces [step 3] |
-1.918349264921927e-01 |
-1.918348057889193e-01 |
1.330000000000000e-07 |
-1.207032734040769e-07 |
PASS |
| Forces [step 4] |
-2.092373877058767e-01 |
-2.092371333696214e-01 |
2.830000000000000e-07 |
-2.543362553064643e-07 |
PASS |