Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966828878e+01 |
-1.058173966727794e+01 |
1.110000000000000e-09 |
-1.010841188531231e-09 |
PASS |
| Energy [step 2] |
-1.058158908445420e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
-1.217500766870216e-09 |
PASS |
| Energy [step 3] |
-1.058145774227820e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
-2.509837671027526e-09 |
PASS |
| Energy [step 4] |
-1.058134610393466e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
-5.558661086979555e-09 |
PASS |
| Forces [step 1] |
-1.538478572155697e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
-1.081994386864515e-07 |
PASS |
| Forces [step 2] |
-1.732216535538730e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
9.557396232762194e-08 |
PASS |
| Forces [step 3] |
-1.918267217487150e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
-2.697810520257971e-07 |
PASS |
| Forces [step 4] |
-2.092292135053673e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
-1.306569436809735e-07 |
PASS |