Match Partial charge 2
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run intel-serial: [intel2023a-serial] >
Input 20-eigensolver.04-evolution.inp
Value | Reference | Precision | Status |
9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)