Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058171294269851e+01 |
-1.058171294371180e+01 |
1.110000000000000e-09 |
1.013294337326442e-09 |
PASS |
| Energy [step 2] |
-1.058156234751241e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
1.285494377611940e-09 |
PASS |
| Energy [step 3] |
-1.058143100023474e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
1.484865563838866e-09 |
PASS |
| Energy [step 4] |
-1.058131935619365e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
4.207645787346337e-09 |
PASS |
| Forces [step 1] |
-1.538554070055597e-01 |
-1.538555154672500e-01 |
1.190000000000000e-07 |
1.084616902680136e-07 |
PASS |
| Forces [step 2] |
-1.732298616199839e-01 |
-1.732297733830400e-01 |
9.710000000000000e-08 |
-8.823694386261849e-08 |
PASS |
| Forces [step 3] |
-1.918346851100878e-01 |
-1.918348057943300e-01 |
1.330000000000000e-07 |
1.206842421552778e-07 |
PASS |
| Forces [step 4] |
-2.092368787783406e-01 |
-2.092371340942830e-01 |
2.830000000000000e-07 |
2.553159423601681e-07 |
PASS |