Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966626709e+01 |
-1.058173966727794e+01 |
1.110000000000000e-09 |
1.010848293958588e-09 |
PASS |
| Energy [step 2] |
-1.058158908201926e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
1.217440370737677e-09 |
PASS |
| Energy [step 3] |
-1.058145773725902e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
2.509345620183012e-09 |
PASS |
| Energy [step 4] |
-1.058134609279477e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
5.581235029694653e-09 |
PASS |
| Forces [step 1] |
-1.538476408166896e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
1.081994413787424e-07 |
PASS |
| Forces [step 2] |
-1.732218447021727e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
-9.557433736095966e-08 |
PASS |
| Forces [step 3] |
-1.918261822365332e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
2.697311298205385e-07 |
PASS |
| Forces [step 4] |
-2.092289486453648e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
1.342030588047383e-07 |
PASS |