Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625168566e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905937565805e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737270220e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745217219613e-05 | PASS |