Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -3.215406787815773e+00 | -3.215406787815846e+00 | 2.120000000000000e-13 | 7.283063041541027e-14 | PASS |
| M-solvent int. energy @ t=5*dt | -3.215406787112806e+00 | -3.215406787112854e+00 | 2.000000000000000e+00 | 4.751754545395670e-14 | PASS |