Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625151648e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905920647915e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737248468e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745195467915e-05 | PASS |