Match Partial charge 4
Commits >
Commit f2f698c8a25f386898063905e7c5eb25847969e0 >
Run spack_foss-2022a_serial_debug >
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, 5)