Match M-solvent int. energy @ t=21*dt
Commits >
Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 >
Run spack_foss-2023a_mpi_min >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.508539158023254e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 21', 12)