Match comparison for Hartree energy (match type 29766)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
1.803741040000000e+01 | 2.890000000000000e-04 | 1.803767190000000e+01 | 0.000000000000000e+00 | 1.803767190000000e+01 | 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: 18.037410400000002, precision: 0.000289Run | Value | Difference | Relative difference | Status |
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 1.803767190000000e+01 | 2.614999999970280e-04 | 9.048442906471558e-01 | PASS |
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 1.803767190000000e+01 | 2.614999999970280e-04 | 9.048442906471558e-01 | PASS |