Match nuclei-solvent int. energy
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run intel_mpi_omp_autotools: [intel2022a-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)