Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058171294472507e+01 |
-1.058171294371180e+01 |
1.110000000000000e-09 |
-1.013267691973851e-09 |
PASS |
| Energy [step 2] |
-1.058156235008337e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285469508616188e-09 |
PASS |
| Energy [step 3] |
-1.058143100320454e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484938394469282e-09 |
PASS |
| Energy [step 4] |
-1.058131936460697e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.205670478540924e-09 |
PASS |
| Forces [step 1] |
-1.538556239289487e-01 |
-1.538555154672500e-01 |
1.190000000000000e-07 |
-1.084616987057085e-07 |
PASS |
| Forces [step 2] |
-1.732296851461184e-01 |
-1.732297733830400e-01 |
9.710000000000000e-08 |
8.823692154713569e-08 |
PASS |
| Forces [step 3] |
-1.918349264797560e-01 |
-1.918348057943300e-01 |
1.330000000000000e-07 |
-1.206854260416002e-07 |
PASS |
| Forces [step 4] |
-2.092373889329245e-01 |
-2.092371340942830e-01 |
2.830000000000000e-07 |
-2.548386415501813e-07 |
PASS |