Input 05-time_propagation.06-td_fast_md.inp
Commits >
Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 >
Run foss-serial-full: [foss2023b-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 | -1.065814103640150e-13 | PASS |
| Energy [step 10] | -3.790950309455624e+01 | -3.790950309455620e+01 | 1.900000000000000e-12 | -4.263256414560601e-14 | PASS |
| Energy [step 15] | -3.790933797735691e+01 | -3.790933797735690e+01 | 1.900000000000000e-12 | -1.421085471520200e-14 | PASS |
| Energy [step 20] | -3.790917483206945e+01 | -3.790917483206940e+01 | 1.900000000000000e-12 | -5.684341886080801e-14 | PASS |
| Forces [step 1] | -1.422367890290821e-02 | -1.422367890290800e-02 | 2.910000000000000e-14 | -2.099015405931937e-16 | PASS |
| Forces [step 5] | -7.618874990412694e-03 | -7.618874990413800e-03 | 2.500000000000000e-14 | 1.105886215935215e-15 | PASS |
| Forces [step 10] | -9.391687584812125e-03 | -9.391687584811126e-03 | 2.300000000000000e-14 | -9.992007221626409e-16 | PASS |
| Forces [step 15] | -1.049280232292382e-02 | -1.049280232292293e-02 | 2.660000000000000e-14 | -8.916478666520788e-16 | PASS |
| Forces [step 20] | -9.513371027087159e-03 | -9.513371027100001e-03 | 4.760000000000000e-12 | 1.284215789265630e-14 | PASS |