Match Partial charge 2
Commits >
Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 >
Run spack_foss-2023a_serial_min >
Input 24-o2-spin.01-gs.inp
Value | Reference | Precision | Status |
6.000000000000000e+00 | 6.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)