Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625149231e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905918231098e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737279887e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745226887053e-05 | PASS |