Input 05-time_propagation.06-td_fast_md.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-3.791009280177379e+01 |
-3.791009280177380e+01 |
1.900000000000000e-12 |
1.421085471520200e-14 |
PASS |
| Energy [step 5] |
-3.790974154516921e+01 |
-3.790974154516920e+01 |
2.000000000000000e-13 |
-1.421085471520200e-14 |
PASS |
| Energy [step 10] |
-3.790950309455616e+01 |
-3.790950309455620e+01 |
1.900000000000000e-12 |
3.552713678800501e-14 |
PASS |
| Energy [step 15] |
-3.790933797735686e+01 |
-3.790933797735690e+01 |
1.900000000000000e-12 |
4.263256414560601e-14 |
PASS |
| Energy [step 20] |
-3.790917483206935e+01 |
-3.790917483206940e+01 |
1.900000000000000e-12 |
4.263256414560601e-14 |
PASS |
| Forces [step 1] |
-1.422367890291176e-02 |
-1.422367890290800e-02 |
2.910000000000000e-14 |
-3.762615219393695e-15 |
PASS |
| Forces [step 5] |
-7.618874990407809e-03 |
-7.618874990413800e-03 |
2.500000000000000e-14 |
5.990867524285903e-15 |
PASS |
| Forces [step 10] |
-9.391687584801245e-03 |
-9.391687584811126e-03 |
2.300000000000000e-14 |
9.880984919163893e-15 |
PASS |
| Forces [step 15] |
-1.049280232290806e-02 |
-1.049280232292293e-02 |
2.000000000000000e-14 |
1.487351908302514e-14 |
PASS |
| Forces [step 20] |
-9.513371027066730e-03 |
-9.513371027100001e-03 |
4.760000000000000e-12 |
3.327026154575918e-14 |
PASS |