Match Partial charge 3
Commits >
Commit 567670ad21bfa0dcf9eec7f6790e7f8f129ccb1e >
Run intel-2022a_omp >
Input 20-eigensolver.05-rmmdiis.inp
Value | Reference | Precision | Status |
9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)