Match nuclei-solvent int. energy
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp
Value | Reference | Precision | Status |
2.386250648000000e+01 | 2.386250648000000e+01 | 1.190000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_n-solvent =', 3)