Input 05-time_propagation.05-td_md.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177372e+01 | -3.791009280177000e+01 | 1.900000000000000e-10 | -3.723243935382925e-12 | PASS |
| Energy [step 5] | -3.791008856892483e+01 | -3.791008856893000e+01 | 1.900000000000000e-10 | 5.172751116333529e-12 | PASS |
| Energy [step 10] | -3.791001520298079e+01 | -3.791001520298000e+01 | 1.900000000000000e-10 | -7.958078640513122e-13 | PASS |