Match Partial charge 1
Commits >
Commit a41c007d955b10e3b7368ff6ffc60ddf6399c944 >
Run foss_mpi_autotools: [foss2022a-mpi] >
Input 33-cg.03-cg_direction.inp
Value | Reference | Precision | Status |
4.123000000000000e+00 | 4.123000000000000e+00 | 2.060000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)