Input 05-time_propagation.05-td_md.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177392e+01 | -3.791009280177000e+01 | 1.900000000000000e-10 | -3.922195901395753e-12 | PASS |
| Energy [step 5] | -3.791008856892503e+01 | -3.791008856893000e+01 | 1.900000000000000e-10 | 4.973799150320701e-12 | PASS |
| Energy [step 10] | -3.791001520298096e+01 | -3.791001520298000e+01 | 1.900000000000000e-10 | -9.592326932761353e-13 | PASS |