Match Partial charge 1
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run intel-serial: [intel2023a-serial] >
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, 2)