Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966828878e+01 |
-1.058173966727793e+01 |
1.110000000000000e-09 |
-1.010855399385946e-09 |
PASS |
| Energy [step 2] |
-1.058158908445420e+01 |
-1.058158908323673e+01 |
1.340000000000000e-09 |
-1.217474121517625e-09 |
PASS |
| Energy [step 3] |
-1.058145774227795e+01 |
-1.058145773976834e+01 |
2.760000000000000e-09 |
-2.509613850065762e-09 |
PASS |
| Energy [step 4] |
-1.058134610372919e+01 |
-1.058134609837270e+01 |
6.140000000000000e-09 |
-5.356485033303215e-09 |
PASS |
| Forces [step 1] |
-1.538478572155718e-01 |
-1.538477490161332e-01 |
1.190000000000000e-07 |
-1.081994386031848e-07 |
PASS |
| Forces [step 2] |
-1.732216535537852e-01 |
-1.732217491278016e-01 |
1.050000000000000e-07 |
9.557401645099439e-08 |
PASS |
| Forces [step 3] |
-1.918267217172167e-01 |
-1.918264519326440e-01 |
2.970000000000000e-07 |
-2.697845726817860e-07 |
PASS |
| Forces [step 4] |
-2.092291839006529e-01 |
-2.092290824096458e-01 |
1.470000000000000e-07 |
-1.014910070984421e-07 |
PASS |