Match Partial charge 3
Commits >
Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc >
Run spack_intel-2023a_serial >
Input 20-eigensolver.06-rmmdiis-noscalapack.inp
Value | Reference | Precision | Status |
9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)