Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -2.131628207280301e-14 | PASS |
| Energy [step 20] | -1.060637197121568e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Multipoles [step 0] | 8.745504320728514e-16 | 0.000000000000000e+00 | 5.000000000000000e-15 | 8.745504320728514e-16 | PASS |
| Multipoles [step 20] | -1.265533510652012e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | 2.969846590872294e-15 | PASS |