Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625170983e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905939982796e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737275053e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745222053246e-05 | PASS |