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] |
-1.058156235008337e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285473061329867e-09 |
PASS |
Energy [step 3] |
-1.058143100320453e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484927736328245e-09 |
PASS |
Energy [step 4] |
-1.058131936460804e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.206734516287725e-09 |
PASS |
Forces [step 1] |
-1.538556239289462e-01 |
-1.538555154672571e-01 |
1.190000000000000e-07 |
-1.084616891300350e-07 |
PASS |
Forces [step 2] |
-1.732296851461874e-01 |
-1.732297733830663e-01 |
9.710000000000000e-08 |
8.823687888681597e-08 |
PASS |
Forces [step 3] |
-1.918349265113659e-01 |
-1.918348057889193e-01 |
1.330000000000000e-07 |
-1.207224466504009e-07 |
PASS |
Forces [step 4] |
-2.092373859175784e-01 |
-2.092371333696214e-01 |
2.830000000000000e-07 |
-2.525479569914779e-07 |
PASS |