Match Partial charge 25
Commits >
Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 10-fullerene.01-gs.inp
| Value | Reference | Precision | Status |
| 3.997000000000000e+00 | 3.997000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 26)