Match nuclei-solvent int. energy
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run intel_mpi_omp_autotools: [intel2022a-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)