Input 05-time_propagation.06-td_fast_md.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_omp_autotools: [intel2022a-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] | -3.790974154516921e+01 | -3.790974154516920e+01 | 2.000000000000000e-13 | -1.421085471520200e-14 | PASS |
| Energy [step 10] | -3.790950309455615e+01 | -3.790950309455620e+01 | 1.900000000000000e-12 | 4.973799150320701e-14 | PASS |
| Energy [step 15] | -3.790933797735685e+01 | -3.790933797735690e+01 | 1.900000000000000e-12 | 4.973799150320701e-14 | PASS |
| Energy [step 20] | -3.790917483206939e+01 | -3.790917483206940e+01 | 1.900000000000000e-12 | 7.105427357601002e-15 | PASS |
| Forces [step 1] | -1.422367890291776e-02 | -1.422367890290800e-02 | 2.910000000000000e-14 | -9.757819552369540e-15 | PASS |
| Forces [step 5] | -7.618874990422908e-03 | -7.618874990413800e-03 | 2.500000000000000e-14 | -9.108165610616226e-15 | PASS |
| Forces [step 10] | -9.391687584815456e-03 | -9.391687584811126e-03 | 2.300000000000000e-14 | -4.329869796038111e-15 | PASS |
| Forces [step 15] | -1.049280232294025e-02 | -1.049280232292293e-02 | 2.000000000000000e-14 | -1.732294863110440e-14 | PASS |
| Forces [step 20] | -9.513371027099149e-03 | -9.513371027100001e-03 | 4.760000000000000e-12 | 8.517492267046123e-16 | PASS |