Match comparison for molecule-solvent int. energy (match type 12041)
Commits >
Commit a02211b136400868a3f91e422c586cb9ab194975 >
Input 32-tdpcm_methane.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.501570000000000e-02 | 7.510000000000000e-16 | -1.501570000000000e-02 | 0.000000000000000e+00 | -1.501570000000000e-02 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
Loading plot...
Detailed information
Reference: -0.015015700000000002, precision: 0.000000000000000751| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |