Input 32-tdpcm_methane.03-td_prop_eom.inp
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625170983e-02 | -1.495587625573000e-02 | 1.000000000000000e-04 | -5.981999597982901e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508533060258326e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | -5.945896007325709e-05 | PASS |