Match Partial charge 1
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 30-local_multipoles.01-gs.inp
Value | Reference | Precision | Status |
4.258000000000000e+00 | 4.274000000000000e+00 | 2.140000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)