Match Partial charge 1
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_ppc_autotools: [foss2022a-serial] >
Input 20-eigensolver.06-rmmdiis-noscalapack.inp
Value | Reference | Precision | Status |
4.157000000000000e+00 | 4.157000000000000e+00 | 2.080000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)