Match nuclei-solvent int. energy
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run cuda-mpi-omp: [foss2022a-cuda-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)