Match comparison for y (C1) (t=400 au) (match type 26044)
Commits >
Commit a02211b136400868a3f91e422c586cb9ab194975 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
4.172809400000000e-01 | 1.000000000000000e-04 | 4.172860461983725e-01 | 0.000000000000000e+00 | 4.172860461983725e-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: 0.41728094, precision: 0.0001Run | Value | Difference | Relative difference | Status |
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 4.172860461983725e-01 | 5.106198372517579e-06 | 5.106198372517579e-02 | PASS |