Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -3.216045980686982e+00 | -3.216045980686861e+00 | 3.190000000000000e-13 | -1.212363542890671e-13 | PASS |
| M-solvent int. energy @ t=5*dt | -3.216045980698800e+00 | -3.215406787112854e+00 | 1.000000000000000e+00 | -6.391935859464404e-04 | PASS |