Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966828878e+01 |
-1.058173966727793e+01 |
1.110000000000000e-09 |
-1.010848293958588e-09 |
PASS |
| Energy [step 2] |
-1.058158908445419e+01 |
-1.058158908323673e+01 |
1.340000000000000e-09 |
-1.217463463376589e-09 |
PASS |
| Energy [step 3] |
-1.058145774227817e+01 |
-1.058145773976834e+01 |
2.760000000000000e-09 |
-2.509830565600168e-09 |
PASS |
| Energy [step 4] |
-1.058134610394379e+01 |
-1.058134609837270e+01 |
6.140000000000000e-09 |
-5.571084926714320e-09 |
PASS |
| Forces [step 1] |
-1.538478572155708e-01 |
-1.538477490161332e-01 |
1.190000000000000e-07 |
-1.081994376317397e-07 |
PASS |
| Forces [step 2] |
-1.732216535538872e-01 |
-1.732217491278016e-01 |
1.050000000000000e-07 |
9.557391442149843e-08 |
PASS |
| Forces [step 3] |
-1.918267217450915e-01 |
-1.918264519326440e-01 |
2.970000000000000e-07 |
-2.698124475231101e-07 |
PASS |
| Forces [step 4] |
-2.092292155348122e-01 |
-2.092290824096458e-01 |
1.470000000000000e-07 |
-1.331251663627686e-07 |
PASS |