Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966828875e+01 |
-1.058173966727793e+01 |
1.110000000000000e-09 |
-1.010818095892319e-09 |
PASS |
| Energy [step 2] |
-1.058158908445418e+01 |
-1.058158908323673e+01 |
1.340000000000000e-09 |
-1.217454581592392e-09 |
PASS |
| Energy [step 3] |
-1.058145774227784e+01 |
-1.058145773976834e+01 |
2.760000000000000e-09 |
-2.509501939584879e-09 |
PASS |
| Energy [step 4] |
-1.058134610376150e+01 |
-1.058134609837270e+01 |
6.140000000000000e-09 |
-5.388796964211906e-09 |
PASS |
| Forces [step 1] |
-1.538478572155687e-01 |
-1.538477490161332e-01 |
1.190000000000000e-07 |
-1.081994354390492e-07 |
PASS |
| Forces [step 2] |
-1.732216535537502e-01 |
-1.732217491278016e-01 |
1.050000000000000e-07 |
9.557405145077524e-08 |
PASS |
| Forces [step 3] |
-1.918267217052553e-01 |
-1.918264519326440e-01 |
2.970000000000000e-07 |
-2.697726113054522e-07 |
PASS |
| Forces [step 4] |
-2.092291885480760e-01 |
-2.092290824096458e-01 |
1.470000000000000e-07 |
-1.061384302392110e-07 |
PASS |