Input 32-tdpcm_methane.03-td_prop_eom.inp
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625166149e-02 | -1.495587625573000e-02 | 1.000000000000000e-04 | -5.981999593149094e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508533060253492e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | -5.945896002491902e-05 | PASS |