Input 05-time_propagation.06-td_fast_md.inp
Commits >
Commit 18848dd43b1805cec78813204483223eec09e06c >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177399e+01 | -3.791009280177380e+01 | 1.900000000000000e-12 | -1.918465386552271e-13 | PASS |
| Energy [step 5] | -3.790974154516930e+01 | -3.790974154516920e+01 | 2.000000000000000e-13 | -9.947598300641403e-14 | PASS |
| Energy [step 10] | -3.790950309455625e+01 | -3.790950309455620e+01 | 1.900000000000000e-12 | -4.973799150320701e-14 | PASS |
| Energy [step 15] | -3.790933797735686e+01 | -3.790933797735690e+01 | 1.900000000000000e-12 | 4.263256414560601e-14 | PASS |
| Energy [step 20] | -3.790917483206920e+01 | -3.790917483206940e+01 | 1.900000000000000e-12 | 1.989519660128281e-13 | PASS |
| Forces [step 1] | -1.422367890290466e-02 | -1.422367890292098e-02 | 2.020000000000000e-14 | 1.632374790894175e-14 | PASS |
| Forces [step 5] | -7.618874990406921e-03 | -7.618874990413800e-03 | 2.500000000000000e-14 | 6.879045943986029e-15 | PASS |
| Forces [step 10] | -9.391687584798358e-03 | -9.391687584811126e-03 | 2.300000000000000e-14 | 1.276756478318930e-14 | PASS |
| Forces [step 15] | -1.049280232292116e-02 | -1.049280232292293e-02 | 2.660000000000000e-14 | 1.772887392448297e-15 | PASS |
| Forces [step 20] | -9.513371027078055e-03 | -9.513371027100001e-03 | 4.760000000000000e-12 | 2.194598669458259e-14 | PASS |