Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625154065e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905923064731e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737262969e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745209968989e-05 | PASS |