Match Partial charge 2
Commits >
Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 >
Run cmake_foss_2022a_min_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, 3)