Input 10-bomd.02-td.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.058171294472508e+01 |
-1.058171294371180e+01 |
1.110000000000000e-09 |
-1.013280126471727e-09 |
PASS |
Energy [step 2] |
-1.058156235008337e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285473061329867e-09 |
PASS |
Energy [step 3] |
-1.058143100320452e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484915301830370e-09 |
PASS |
Energy [step 4] |
-1.058131936460797e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.206668791084667e-09 |
PASS |
Forces [step 1] |
-1.538556239289461e-01 |
-1.538555154672571e-01 |
1.190000000000000e-07 |
-1.084616890190127e-07 |
PASS |
Forces [step 2] |
-1.732296851461739e-01 |
-1.732297733830663e-01 |
9.710000000000000e-08 |
8.823689237602572e-08 |
PASS |
Forces [step 3] |
-1.918349264700328e-01 |
-1.918348057889193e-01 |
1.330000000000000e-07 |
-1.206811134912833e-07 |
PASS |
Forces [step 4] |
-2.092373901133483e-01 |
-2.092371333696214e-01 |
2.830000000000000e-07 |
-2.567437268619077e-07 |
PASS |