Match Partial charge 4
Commits >
Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 >
Run spack_foss-2023b_serial >
Input 20-eigensolver.05-rmmdiis.inp
Value | Reference | Precision | Status |
9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)