Match Partial charge 20
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run intel_mpi_omp_autotools: [intel2022a-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)