Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058171294472506e+01 |
-1.058171294371180e+01 |
1.110000000000000e-09 |
-1.013258810189654e-09 |
PASS |
| Energy [step 2] |
-1.058156235008336e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285464179545670e-09 |
PASS |
| Energy [step 3] |
-1.058143100320453e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484929512685085e-09 |
PASS |
| Energy [step 4] |
-1.058131936460611e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.204808945473815e-09 |
PASS |
| Forces [step 1] |
-1.538556239289444e-01 |
-1.538555154672500e-01 |
1.190000000000000e-07 |
-1.084616943758387e-07 |
PASS |
| Forces [step 2] |
-1.732296851460907e-01 |
-1.732297733830400e-01 |
9.710000000000000e-08 |
8.823694924720016e-08 |
PASS |
| Forces [step 3] |
-1.918349264189885e-01 |
-1.918348057943300e-01 |
1.330000000000000e-07 |
-1.206246585117032e-07 |
PASS |
| Forces [step 4] |
-2.092373951594418e-01 |
-2.092371340942830e-01 |
2.830000000000000e-07 |
-2.610651587964252e-07 |
PASS |