Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625158898e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905927898365e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737255718e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745202718365e-05 | PASS |