Input 32-tdpcm_methane.03-td_prop_eom.inp
Commits >
Commit e0f0cf67f5aef4623762b023982f2615c89cfe99 >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625156482e-02 | -1.495587625573000e-02 | 1.000000000000000e-04 | -5.981999583481654e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508533060251075e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | -5.945896000075085e-05 | PASS |