Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit f484e314acc228329e17ffb1f42ae4a074ecf8ad >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625166149e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905935148989e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737265386e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745212385806e-05 | PASS |