Match Partial charge 35
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run spack_foss-2022a_serial >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.999000000000000e+00 | 4.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 36)