Match M-solvent int. energy @ t=0
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.501569625149231e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)