Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966626709e+01 |
-1.058173966727793e+01 |
1.110000000000000e-09 |
1.010842964888070e-09 |
PASS |
| Energy [step 2] |
-1.058158908201926e+01 |
-1.058158908323673e+01 |
1.340000000000000e-09 |
1.217472345160786e-09 |
PASS |
| Energy [step 3] |
-1.058145773725906e+01 |
-1.058145773976834e+01 |
2.760000000000000e-09 |
2.509283447693633e-09 |
PASS |
| Energy [step 4] |
-1.058134609279484e+01 |
-1.058134609837270e+01 |
6.140000000000000e-09 |
5.577863504413472e-09 |
PASS |
| Forces [step 1] |
-1.538476408166939e-01 |
-1.538477490161332e-01 |
1.190000000000000e-07 |
1.081994393525854e-07 |
PASS |
| Forces [step 2] |
-1.732218447021882e-01 |
-1.732217491278016e-01 |
1.050000000000000e-07 |
-9.557438654383965e-08 |
PASS |
| Forces [step 3] |
-1.918261821968989e-01 |
-1.918264519326440e-01 |
2.970000000000000e-07 |
2.697357451286742e-07 |
PASS |
| Forces [step 4] |
-2.092289485353260e-01 |
-2.092290824096458e-01 |
1.470000000000000e-07 |
1.338743198242565e-07 |
PASS |