Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Commits >
Commit 94d58911903c32860449c62a795f2d74d19217f9 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -3.215406787815870e+00 | -3.215406787815846e+00 | 2.120000000000000e-13 | -2.353672812205332e-14 | PASS |
| M-solvent int. energy @ t=5*dt | -3.215406787112879e+00 | -3.215406787112854e+00 | 2.000000000000000e+00 | -2.486899575160351e-14 | PASS |