Match Partial charge 20
Commits >
Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 >
Run spack_foss-2023a_mpi_opt >
Input 10-fullerene.01-gs.inp
| Value | Reference | Precision | Status |
| 3.998000000000000e+00 | 3.998000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 21)