Match Partial charge 4
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run intel-serial: [intel2023a-serial] >
Input 20-eigensolver.08-evolution-chebyshev.inp
Value | Reference | Precision | Status |
9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)