Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -3.215406787815846e+00 | -3.215406787815846e+00 | 2.120000000000000e-13 | 4.440892098500626e-16 | PASS |
| M-solvent int. energy @ t=5*dt | -3.215406787112951e+00 | -3.215406787112854e+00 | 2.000000000000000e+00 | -9.769962616701378e-14 | PASS |