Match Partial charge 2
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run spack_foss-2023a_serial_opt >
Input 33-cg.02-additional_terms.inp
Value | Reference | Precision | Status |
9.690000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)