Match M-solvent int. energy @ t=0
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
Run intel-2022a_omp_impi >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.215432382877935e+00 | -3.215432382877802e+00 | 4.120000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)