Match comparison for y (C2) (t=400 au) (match type 26045)
Commits >
Commit b5af8743e2ea06a4f564dab9b293c80c368f10c2 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
1.362777810000000e+00 | 1.000000000000000e-04 | 1.362785690643721e+00 | 0.000000000000000e+00 | 1.362785690643721e+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: 1.36277781, precision: 0.0001Run | Value | Difference | Relative difference | Status |
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 1.362785690643721e+00 | 7.880643721147607e-06 | 7.880643721147607e-02 | PASS |