Match Partial charge 3
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run intel_autotools: [intel2023a-serial] >
Input 20-eigensolver.06-rmmdiis-noscalapack.inp
Value | Reference | Precision | Status |
9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)