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 |
-1.013278350114888e-09 |
PASS |
Energy [step 2] |
-1.058156235008340e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285501483039297e-09 |
PASS |
Energy [step 3] |
-1.058143100320453e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484927736328245e-09 |
PASS |
Energy [step 4] |
-1.058131936460899e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.207691972624161e-09 |
PASS |
Forces [step 1] |
-1.538556239289343e-01 |
-1.538555154672571e-01 |
1.190000000000000e-07 |
-1.084616771951374e-07 |
PASS |
Forces [step 2] |
-1.732296851463258e-01 |
-1.732297733830663e-01 |
9.710000000000000e-08 |
8.823674052527153e-08 |
PASS |
Forces [step 3] |
-1.918349264789136e-01 |
-1.918348057889193e-01 |
1.330000000000000e-07 |
-1.206899943040352e-07 |
PASS |
Forces [step 4] |
-2.092373893880073e-01 |
-2.092371333696214e-01 |
2.830000000000000e-07 |
-2.560183858801857e-07 |
PASS |