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 |
-1.013276573758048e-09 |
PASS |
| Energy [step 2] |
-1.058156235008335e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285449968690955e-09 |
PASS |
| Energy [step 3] |
-1.058143100320453e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484925959971406e-09 |
PASS |
| Energy [step 4] |
-1.058131936460861e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.207306503190011e-09 |
PASS |
| Forces [step 1] |
-1.538556239289429e-01 |
-1.538555154672571e-01 |
1.190000000000000e-07 |
-1.084616858548770e-07 |
PASS |
| Forces [step 2] |
-1.732296851462171e-01 |
-1.732297733830663e-01 |
9.710000000000000e-08 |
8.823684921610564e-08 |
PASS |
| Forces [step 3] |
-1.918349264884297e-01 |
-1.918348057889193e-01 |
1.330000000000000e-07 |
-1.206995104419128e-07 |
PASS |
| Forces [step 4] |
-2.092373883424219e-01 |
-2.092371333696214e-01 |
2.830000000000000e-07 |
-2.549728005396545e-07 |
PASS |