Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Energy [step 20] | -1.060637197121568e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | 1.776356839400250e-15 | PASS |
| Multipoles [step 0] | -6.797255019583802e-16 | 0.000000000000000e+00 | 5.000000000000000e-15 | -6.797255019583802e-16 | PASS |
| Multipoles [step 20] | -1.265533510652010e-01 | -1.265533510652018e-01 | 3.540000000000000e-15 | 8.049116928532385e-16 | PASS |