Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -3.216045980686837e+00 | -3.216045980686861e+00 | 3.190000000000000e-13 | 2.398081733190338e-14 | PASS |
| M-solvent int. energy @ t=5*dt | -3.216045980698849e+00 | -3.215406787112854e+00 | 1.000000000000000e+00 | -6.391935859948461e-04 | PASS |