Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625173400e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905942399612e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737267803e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745214802622e-05 | PASS |