Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058171294269850e+01 |
-1.058171294371180e+01 |
1.110000000000000e-09 |
1.013303219110639e-09 |
PASS |
| Energy [step 2] |
-1.058156234751240e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
1.285505035752976e-09 |
PASS |
| Energy [step 3] |
-1.058143100023474e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
1.484863787482027e-09 |
PASS |
| Energy [step 4] |
-1.058131935619353e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
4.207773685038774e-09 |
PASS |
| Forces [step 1] |
-1.538554070055678e-01 |
-1.538555154672571e-01 |
1.190000000000000e-07 |
1.084616893243240e-07 |
PASS |
| Forces [step 2] |
-1.732298616199944e-01 |
-1.732297733830663e-01 |
9.710000000000000e-08 |
-8.823692812520711e-08 |
PASS |
| Forces [step 3] |
-1.918346851138255e-01 |
-1.918348057889193e-01 |
1.330000000000000e-07 |
1.206750938065326e-07 |
PASS |
| Forces [step 4] |
-2.092368791573992e-01 |
-2.092371333696214e-01 |
2.830000000000000e-07 |
2.542122222448651e-07 |
PASS |