Match Partial charge 3
Commits >
Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 >
Run cmake_foss_2022a_min_mpi >
Input 33-cg.03-cg_direction.inp
Value | Reference | Precision | Status |
9.600000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)