Match nuclei-solvent int. energy
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
2.386158233000000e+01 | 2.386158233000000e+01 | 1.190000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_n-solvent =', 3)