Match nuclei-solvent int. energy
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run spack_foss-2022a_cuda_serial >
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)