Input 32-tdpcm_methane.03-td_prop_eom.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625161315e-02 | -1.495587625573000e-02 | 1.000000000000000e-04 | -5.981999588315461e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508533060260742e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | -5.945896009742525e-05 | PASS |