Match nuclei-solvent int. energy
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
Value | Reference | Precision | Status |
2.383975967000000e+01 | 2.383975967000000e+01 | 1.190000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_n-solvent =', 3)