Match nuclei-solvent int. energy
Commits >
Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d >
Run intel_omp_autotools: [intel2022a-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)