Match M-solvent int. energy @ t=0
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-min-parallel: [foss2022a-mpi] >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.215406787815870e+00 | -3.215406787815954e+00 | 2.790000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)