Match Partial charge 2
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
Run spack_foss-2022a_mpi_min >
Input 24-o2-spin.01-gs.inp
Value | Reference | Precision | Status |
6.000000000000000e+00 | 6.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)