Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966518176e+01 |
-1.058173966727794e+01 |
1.110000000000000e-09 |
2.096177453836390e-09 |
FAIL |
| Energy [step 2] |
-1.058158908088513e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
2.351571382064321e-09 |
FAIL |
| Energy [step 3] |
-1.058145774185973e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
-2.091372408585812e-09 |
PASS |
| Energy [step 4] |
-1.058134610323872e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
-4.862714675368807e-09 |
PASS |
| Forces [step 1] |
-1.538475246426384e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
2.243734925910790e-07 |
FAIL |
| Forces [step 2] |
-1.732219674656787e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
-2.183378433884275e-07 |
FAIL |
| Forces [step 3] |
-1.918267875904948e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
-3.356228318041055e-07 |
FAIL |
| Forces [step 4] |
-2.092291033772628e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
-2.052883923964188e-08 |
PASS |