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 |
-1.010830530390194e-09 |
PASS |
| Energy [step 2] |
-1.058158908445422e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
-1.217516754081771e-09 |
PASS |
| Energy [step 3] |
-1.058145774227814e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
-2.509780827608665e-09 |
PASS |
| Energy [step 4] |
-1.058134610394991e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
-5.573911110445806e-09 |
PASS |
| Forces [step 1] |
-1.538478572155716e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
-1.081994405738307e-07 |
PASS |
| Forces [step 2] |
-1.732216535538576e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
9.557397773196641e-08 |
PASS |
| Forces [step 3] |
-1.918267217418064e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
-2.697741434409817e-07 |
PASS |
| Forces [step 4] |
-2.092292160890460e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
-1.332406223686355e-07 |
PASS |