Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966828877e+01 |
-1.058173966727793e+01 |
1.110000000000000e-09 |
-1.010842964888070e-09 |
PASS |
| Energy [step 2] |
-1.058158908445421e+01 |
-1.058158908323673e+01 |
1.340000000000000e-09 |
-1.217483003301822e-09 |
PASS |
| Energy [step 3] |
-1.058145774227805e+01 |
-1.058145773976834e+01 |
2.760000000000000e-09 |
-2.509706220621410e-09 |
PASS |
| Energy [step 4] |
-1.058134610369902e+01 |
-1.058134609837270e+01 |
6.140000000000000e-09 |
-5.326317165099681e-09 |
PASS |
| Forces [step 1] |
-1.538478572155715e-01 |
-1.538477490161332e-01 |
1.190000000000000e-07 |
-1.081994382701179e-07 |
PASS |
| Forces [step 2] |
-1.732216535538238e-01 |
-1.732217491278016e-01 |
1.050000000000000e-07 |
9.557397778747756e-08 |
PASS |
| Forces [step 3] |
-1.918267217290574e-01 |
-1.918264519326440e-01 |
2.970000000000000e-07 |
-2.697964133768771e-07 |
PASS |
| Forces [step 4] |
-2.092291792568716e-01 |
-2.092290824096458e-01 |
1.470000000000000e-07 |
-9.684722576674965e-08 |
PASS |