Match comparison for Hartree energy (match type 1018)
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Commit 2d9bf02ec4659ea995174201bc1933b739962aeb >
Input 28-carbon_big_box.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.067941250000000e+00 | 1.000000000000000e-04 | 1.067933980000000e+00 | 0.000000000000000e+00 | 1.067933980000000e+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: 1.06794125, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |