Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| N_electrons [step 0] | 3.000000000000001e+00 | 3.000000000000000e+00 | 2.000000000000000e-07 | 8.881784197001252e-16 | PASS |
| N_electrons [step 500] | 2.319032523318571e+00 | 2.319032630881478e+00 | 3.060000000000000e-07 | -1.075629070257378e-07 | PASS |
| norm11 [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.300000000000000e-07 | 0.000000000000000e+00 | PASS |
| norm11 [step 500] | 8.562171994688439e-01 | 8.562172473301963e-01 | 7.470000000000000e-08 | -4.786135243683987e-08 | PASS |
| norm21 [step 0] | 9.999999999999999e-01 | 1.000000000000000e+00 | 1.300000000000000e-07 | -1.110223024625157e-16 | PASS |
| norm21 [step 500] | 9.153054833688952e-01 | 9.153054729587488e-01 | 2.520000000000000e-08 | 1.041014641156579e-08 | PASS |