Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -3.215406787815822e+00 | -3.215406787815954e+00 | 2.790000000000000e-13 | 1.327826737451687e-13 | PASS |
| M-solvent int. energy @ t=5*dt | -3.215406787112927e+00 | -3.215406787112854e+00 | 2.000000000000000e+00 | -7.327471962526033e-14 | PASS |