Input 32-tdpcm_methane.03-td_prop_eom.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625168566e-02 | -1.495587625573000e-02 | 1.000000000000000e-04 | -5.981999595565911e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508533060248658e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | -5.945895997658268e-05 | PASS |