Match Partial charge 4
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run cmake_foss_2022a_full_mpi >
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)