Match nuclei-solvent int. energy
Commits >
Commit e4c059220ca1a60f4b3fbcd10e5162435e5fcc26 >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 32-tdpcm_methane.01-ground_state.inp
| Value | Reference | Precision | Status |
| -2.372991100000000e-01 | -2.372991100000000e-01 | 1.190000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_n-solvent =', 3)