Input 10-bomd.02-td.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.058173966828875e+01 |
-1.058173966727794e+01 |
1.110000000000000e-09 |
-1.010807437751282e-09 |
PASS |
Energy [step 2] |
-1.058158908445419e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
-1.217486556015501e-09 |
PASS |
Energy [step 3] |
-1.058145774227804e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
-2.509679575268819e-09 |
PASS |
Energy [step 4] |
-1.058134610370488e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
-5.328880448018936e-09 |
PASS |
Forces [step 1] |
-1.538478572155655e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
-1.081994344676040e-07 |
PASS |
Forces [step 2] |
-1.732216535538090e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
9.557402630422374e-08 |
PASS |
Forces [step 3] |
-1.918267217268678e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
-2.697592047795627e-07 |
PASS |
Forces [step 4] |
-2.092291803069772e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
-9.745855358844757e-08 |
PASS |