Input 32-tdpcm_methane.03-td_prop_eom.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625175816e-02 | -1.495587625573000e-02 | 1.000000000000000e-04 | -5.981999602816535e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508533060258326e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | -5.945896007325709e-05 | PASS |