Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966828877e+01 |
-1.058173966727794e+01 |
1.110000000000000e-09 |
-1.010832306747034e-09 |
PASS |
| Energy [step 2] |
-1.058158908445421e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
-1.217513201368092e-09 |
PASS |
| Energy [step 3] |
-1.058145774227805e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
-2.509688457053016e-09 |
PASS |
| Energy [step 4] |
-1.058134610369444e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
-5.318437246160101e-09 |
PASS |
| Forces [step 1] |
-1.538478572155734e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
-1.081994423779431e-07 |
PASS |
| Forces [step 2] |
-1.732216535538244e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
9.557401089987927e-08 |
PASS |
| Forces [step 3] |
-1.918267217313287e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
-2.697636657111868e-07 |
PASS |
| Forces [step 4] |
-2.092291787121261e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
-9.586370253167331e-08 |
PASS |