Input 05-time_propagation.05-td_md.inp
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177371e+01 | -3.791009280177000e+01 | 1.900000000000000e-10 | -3.716138508025324e-12 | PASS |
| Energy [step 5] | -3.791008856892482e+01 | -3.791008856893000e+01 | 1.900000000000000e-10 | 5.179856543691130e-12 | PASS |
| Energy [step 10] | -3.791001520298082e+01 | -3.791001520298000e+01 | 1.900000000000000e-10 | -8.171241461241152e-13 | PASS |