Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966828873e+01 |
-1.058173966727794e+01 |
1.110000000000000e-09 |
-1.010786121469209e-09 |
PASS |
| Energy [step 2] |
-1.058158908445419e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
-1.217493661442859e-09 |
PASS |
| Energy [step 3] |
-1.058145774227739e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
-2.509031205022438e-09 |
PASS |
| Energy [step 4] |
-1.058134610353770e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
-5.161698624078781e-09 |
PASS |
| Forces [step 1] |
-1.538478572155599e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
-1.081994289164889e-07 |
PASS |
| Forces [step 2] |
-1.732216535535136e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
9.557432173457059e-08 |
PASS |
| Forces [step 3] |
-1.918267216423504e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
-2.696746874419897e-07 |
PASS |
| Forces [step 4] |
-2.092291559241815e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
-7.307575794479604e-08 |
PASS |