Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966518179e+01 |
-1.058173966727794e+01 |
1.110000000000000e-09 |
2.096154361197478e-09 |
FAIL |
| Energy [step 2] |
-1.058158908088515e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
2.351553618495927e-09 |
FAIL |
| Energy [step 3] |
-1.058145774185952e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
-2.091157469408245e-09 |
PASS |
| Energy [step 4] |
-1.058134610326864e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
-4.892642735399022e-09 |
PASS |
| Forces [step 1] |
-1.538475246426474e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
2.243734835705169e-07 |
FAIL |
| Forces [step 2] |
-1.732219674653981e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
-2.183375627518025e-07 |
FAIL |
| Forces [step 3] |
-1.918267879975827e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
-3.360299197230354e-07 |
FAIL |
| Forces [step 4] |
-2.092290976107473e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
-1.476232369679309e-08 |
PASS |