Match M-solvent int. energy @ t=0
Commits >
Commit b21946569e0fd76bd0c736308c1aade8f51fa7e4 >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.501569625168566e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)