Match Partial charge 1
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss_cmake: [foss2022a-serial, foss-full] >
Input 33-cg.01-orthogonalize_all.inp
Value | Reference | Precision | Status |
4.123000000000000e+00 | 4.123000000000000e+00 | 2.060000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)