Match Partial charge 1
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Run spack_intel-2022a_impi_omp >
Input 33-cg.02-additional_terms.inp
Value | Reference | Precision | Status |
4.159000000000000e+00 | 4.179000000000000e+00 | 2.090000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)