Input 10-bomd.02-td.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.058173966828878e+01 |
-1.058173966727794e+01 |
1.110000000000000e-09 |
-1.010835859460713e-09 |
PASS |
Energy [step 2] |
-1.058158908445418e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
-1.217477674231304e-09 |
PASS |
Energy [step 3] |
-1.058145774227833e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
-2.509965568719963e-09 |
PASS |
Energy [step 4] |
-1.058134610389367e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
-5.517666323839876e-09 |
PASS |
Forces [step 1] |
-1.538478572155725e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
-1.081994414897647e-07 |
PASS |
Forces [step 2] |
-1.732216535539355e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
9.557389984982123e-08 |
PASS |
Forces [step 3] |
-1.918267217651863e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
-2.697975232668348e-07 |
PASS |
Forces [step 4] |
-2.092292079257098e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
-1.250772862226857e-07 |
PASS |