Input 05-time_propagation.05-td_md.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177375e+01 | -3.791009280177000e+01 | 1.900000000000000e-10 | -3.751665644813329e-12 | PASS |
| Energy [step 5] | -3.791008856892486e+01 | -3.791008856893000e+01 | 1.900000000000000e-10 | 5.144329406903125e-12 | PASS |
| Energy [step 10] | -3.791001520298085e+01 | -3.791001520298000e+01 | 1.900000000000000e-10 | -8.526512829121202e-13 | PASS |