Match Partial charge 1
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Run spack_foss-2022a_serial_opt >
Input 20-eigensolver.06-rmmdiis-noscalapack.inp
Value | Reference | Precision | Status |
4.157000000000000e+00 | 4.157000000000000e+00 | 2.080000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)