Match Partial charge 1
Commits >
Commit a707423db2dcfe1920cae26cacaed48d94544399 >
Run spack_foss-2022a_serial_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, 2)