Match M-solvent int. energy @ t=5*dt
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
Run spack_foss-2022a_serial_omp >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.215406787112927e+00 | -3.215406787112854e+00 | 1.060000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 5', 12)