Match Partial charge 45
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Run spack_intel-2023a_impi >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.999000000000000e+00 | 3.999000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 46)