Input 32-tdpcm_methane.03-td_prop_eom.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625168566e-02 | -1.495587625573000e-02 | 1.000000000000000e-04 | -5.981999595565911e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508533060255909e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | -5.945896004908892e-05 | PASS |