Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625151648e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905920647915e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737246051e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745193050925e-05 | PASS |