Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Commits >
Commit c335ce26b11dabfe3619506d15cfc1285f92daaf >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -3.216045980687006e+00 | -3.216045980686861e+00 | 3.190000000000000e-13 | -1.452171716209705e-13 | PASS |
| M-solvent int. energy @ t=5*dt | -3.216045980698849e+00 | -3.215406787112854e+00 | 1.000000000000000e+00 | -6.391935859948461e-04 | PASS |