Match Partial charge 1
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_autotools: [foss2022a-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)