Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -3.216045980687103e+00 | -3.216045980686861e+00 | 3.190000000000000e-13 | -2.420286193682841e-13 | PASS |
| M-solvent int. energy @ t=5*dt | -3.216045980698800e+00 | -3.215406787112854e+00 | 1.000000000000000e+00 | -6.391935859464404e-04 | PASS |