Input 32-tdpcm_methane.03-td_prop_eom.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625173400e-02 | -1.495587625573000e-02 | 1.000000000000000e-04 | -5.981999600399718e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508533060260742e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | -5.945896009742525e-05 | PASS |