Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625183067e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905952067053e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737277470e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745224470063e-05 | PASS |