Input 10-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] |
-1.058156235008336e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285458850475152e-09 |
PASS |
Energy [step 3] |
-1.058143100320452e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484924183614567e-09 |
PASS |
Energy [step 4] |
-1.058131936460846e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.207160841929181e-09 |
PASS |
Forces [step 1] |
-1.538556239289433e-01 |
-1.538555154672571e-01 |
1.190000000000000e-07 |
-1.084616861879439e-07 |
PASS |
Forces [step 2] |
-1.732296851461923e-01 |
-1.732297733830663e-01 |
9.710000000000000e-08 |
8.823687400183466e-08 |
PASS |
Forces [step 3] |
-1.918349264745213e-01 |
-1.918348057889193e-01 |
1.330000000000000e-07 |
-1.206856020397051e-07 |
PASS |
Forces [step 4] |
-2.092373897416790e-01 |
-2.092371333696214e-01 |
2.830000000000000e-07 |
-2.563720576387318e-07 |
PASS |