Match comparison for Hartree energy (match type 31761)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
3.610174400000000e+00 | 3.570000000000000e-05 | 3.610155790000000e+00 | 0.000000000000000e+00 | 3.610155790000000e+00 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 3.6101744, precision: 0.0000357Run | Value | Difference | Relative difference | Status |
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 3.610155790000000e+00 | -1.861000000014101e-05 | -5.212885154101125e-01 | PASS |
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | 3.610155790000000e+00 | -1.861000000014101e-05 | -5.212885154101125e-01 | PASS |
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | 3.610155790000000e+00 | -1.861000000014101e-05 | -5.212885154101125e-01 | PASS |