Match M-solvent int. energy @ t=0
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Run spack_foss-2023a_mpi_opt >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.215406787815822e+00 | -3.215406787815954e+00 | 2.790000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)