Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966828872e+01 |
-1.058173966727794e+01 |
1.110000000000000e-09 |
-1.010775463328173e-09 |
PASS |
| Energy [step 2] |
-1.058158908445419e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
-1.217488332372341e-09 |
PASS |
| Energy [step 3] |
-1.058145774227713e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
-2.508770080567047e-09 |
PASS |
| Energy [step 4] |
-1.058134610354697e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
-5.170972983137290e-09 |
PASS |
| Forces [step 1] |
-1.538478572155721e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
-1.081994411289422e-07 |
PASS |
| Forces [step 2] |
-1.732216535534528e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
9.557438246377004e-08 |
PASS |
| Forces [step 3] |
-1.918267216131662e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
-2.696455032591416e-07 |
PASS |
| Forces [step 4] |
-2.092291575231779e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
-7.467475432454407e-08 |
PASS |