Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966828872e+01 |
-1.058173966727793e+01 |
1.110000000000000e-09 |
-1.010789674182888e-09 |
PASS |
| Energy [step 2] |
-1.058158908445419e+01 |
-1.058158908323673e+01 |
1.340000000000000e-09 |
-1.217463463376589e-09 |
PASS |
| Energy [step 3] |
-1.058145774227701e+01 |
-1.058145773976834e+01 |
2.760000000000000e-09 |
-2.508668828227201e-09 |
PASS |
| Energy [step 4] |
-1.058134610296544e+01 |
-1.058134609837270e+01 |
6.140000000000000e-09 |
-4.592735081132560e-09 |
PASS |
| Forces [step 1] |
-1.538478572155576e-01 |
-1.538477490161332e-01 |
1.190000000000000e-07 |
-1.081994243923301e-07 |
PASS |
| Forces [step 2] |
-1.732216535534145e-01 |
-1.732217491278016e-01 |
1.050000000000000e-07 |
9.557438715446231e-08 |
PASS |
| Forces [step 3] |
-1.918267215960670e-01 |
-1.918264519326440e-01 |
2.970000000000000e-07 |
-2.696634229526484e-07 |
PASS |
| Forces [step 4] |
-2.092290723843912e-01 |
-2.092290933047166e-01 |
1.590000000000000e-07 |
2.092032536094024e-08 |
PASS |