Match Partial charge 2
Commits >
Commit cbc1abc06e6e7cc5a3148786399a656e257098a6 >
Run spack_foss-2023b_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, 3)