Input 32-tdpcm_methane.03-td_prop_eom.inp
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss-cmake: [foss2022a-serial, foss-full]
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 | -1.508533060265576e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | -5.945896014576332e-05 | PASS |