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 |
2.096145479413281e-09 |
FAIL |
| Energy [step 2] |
-1.058158908088516e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
2.351544736711730e-09 |
FAIL |
| Energy [step 3] |
-1.058145774185968e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
-2.091320894237469e-09 |
PASS |
| Energy [step 4] |
-1.058134610291122e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
-4.535221975743298e-09 |
PASS |
| Forces [step 1] |
-1.538475246426492e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
2.243734817941601e-07 |
FAIL |
| Forces [step 2] |
-1.732219674655792e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
-2.183377438569334e-07 |
FAIL |
| Forces [step 3] |
-1.918267847633747e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
-3.327957117105207e-07 |
FAIL |
| Forces [step 4] |
-2.092290980710147e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
-1.522259107655799e-08 |
PASS |