Match electrons-solvent int. energy
Commits >
Commit bae4500c7a0d1ba65b012093daf21b2d064fac81 >
Run spack_foss-2022a_mpi_debug >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
-2.707462360000000e+01 | -2.707462360000000e+01 | 2.710000000000000e-13 | PASS |
Command: GREPFIELD(static/info, 'E_e-solvent =', 3)