Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966626710e+01 |
-1.058173966727793e+01 |
1.110000000000000e-09 |
1.010834083103873e-09 |
PASS |
| Energy [step 2] |
-1.058158908201928e+01 |
-1.058158908323673e+01 |
1.340000000000000e-09 |
1.217451028878713e-09 |
PASS |
| Energy [step 3] |
-1.058145773725909e+01 |
-1.058145773976834e+01 |
2.760000000000000e-09 |
2.509253249627363e-09 |
PASS |
| Energy [step 4] |
-1.058134609279491e+01 |
-1.058134609837270e+01 |
6.140000000000000e-09 |
5.577788897426217e-09 |
PASS |
| Forces [step 1] |
-1.538476408167001e-01 |
-1.538477490161332e-01 |
1.190000000000000e-07 |
1.081994330798253e-07 |
PASS |
| Forces [step 2] |
-1.732218447021785e-01 |
-1.732217491278016e-01 |
1.050000000000000e-07 |
-9.557437685714376e-08 |
PASS |
| Forces [step 3] |
-1.918261822349075e-01 |
-1.918264519326440e-01 |
2.970000000000000e-07 |
2.696977365324038e-07 |
PASS |
| Forces [step 4] |
-2.092289486190098e-01 |
-2.092290933047166e-01 |
1.590000000000000e-07 |
1.446857067766150e-07 |
PASS |