Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-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 | -1.508530737260552e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745207552172e-05 | PASS |