Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966626710e+01 |
-1.058173966727794e+01 |
1.110000000000000e-09 |
1.010841188531231e-09 |
PASS |
| Energy [step 2] |
-1.058158908201927e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
1.217426159882962e-09 |
PASS |
| Energy [step 3] |
-1.058145773725899e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
2.509374041892443e-09 |
PASS |
| Energy [step 4] |
-1.058134609279464e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
5.581362927387090e-09 |
PASS |
| Forces [step 1] |
-1.538476408166938e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
1.081994372154060e-07 |
PASS |
| Forces [step 2] |
-1.732218447021844e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
-9.557434904605699e-08 |
PASS |
| Forces [step 3] |
-1.918261822211367e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
2.697465263101773e-07 |
PASS |
| Forces [step 4] |
-2.092289486286243e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
1.342197992748595e-07 |
PASS |