Match Partial charge 20
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss-mpi-min: [foss2023a-mpi] >
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, 21)