Input 05-time_propagation.06-td_fast_md.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-serial-debug: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177381e+01 | -3.791009280177380e+01 | 1.900000000000000e-12 | -1.421085471520200e-14 | PASS |
| Energy [step 5] | -3.790974154516930e+01 | -3.790974154516920e+01 | 2.000000000000000e-13 | -9.947598300641403e-14 | PASS |
| Energy [step 10] | -3.790950309455626e+01 | -3.790950309455620e+01 | 1.900000000000000e-12 | -5.684341886080801e-14 | PASS |
| Energy [step 15] | -3.790933797735688e+01 | -3.790933797735690e+01 | 1.900000000000000e-12 | 1.421085471520200e-14 | PASS |
| Energy [step 20] | -3.790917483206947e+01 | -3.790917483206940e+01 | 1.900000000000000e-12 | -7.105427357601002e-14 | PASS |
| Forces [step 1] | -1.422367890290999e-02 | -1.422367890292098e-02 | 3.190000000000000e-14 | 1.099467739074100e-14 | PASS |
| Forces [step 5] | -7.618874990414470e-03 | -7.618874990413800e-03 | 4.420000000000000e-14 | -6.704706234650359e-16 | PASS |
| Forces [step 10] | -9.391687584813013e-03 | -9.391687584811126e-03 | 3.720000000000000e-14 | -1.887379141862766e-15 | PASS |
| Forces [step 15] | -1.049280232292538e-02 | -1.049280232292293e-02 | 3.980000000000000e-14 | -2.445960101127298e-15 | PASS |
| Forces [step 20] | -9.513371027089157e-03 | -9.513371027100001e-03 | 4.760000000000000e-12 | 1.084375644833102e-14 | PASS |