Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966626711e+01 |
-1.058173966727793e+01 |
1.110000000000000e-09 |
1.010823424962837e-09 |
PASS |
| Energy [step 2] |
-1.058158908201926e+01 |
-1.058158908323673e+01 |
1.340000000000000e-09 |
1.217465239733428e-09 |
PASS |
| Energy [step 3] |
-1.058145773725911e+01 |
-1.058145773976834e+01 |
2.760000000000000e-09 |
2.509233709702130e-09 |
PASS |
| Energy [step 4] |
-1.058134609279495e+01 |
-1.058134609837270e+01 |
6.140000000000000e-09 |
5.577753370289429e-09 |
PASS |
| Forces [step 1] |
-1.538476408166971e-01 |
-1.538477490161332e-01 |
1.190000000000000e-07 |
1.081994361606942e-07 |
PASS |
| Forces [step 2] |
-1.732218447021557e-01 |
-1.732217491278016e-01 |
1.050000000000000e-07 |
-9.557435404206061e-08 |
PASS |
| Forces [step 3] |
-1.918261822711724e-01 |
-1.918264519326440e-01 |
2.970000000000000e-07 |
2.696614716246604e-07 |
PASS |
| Forces [step 4] |
-2.092289487040476e-01 |
-2.092290824096458e-01 |
1.470000000000000e-07 |
1.337055982320035e-07 |
PASS |