Match Partial charge 3
Commits >
Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd >
Run spack_intel-2022a_impi_omp >
Input 33-cg.02-additional_terms.inp
Value | Reference | Precision | Status |
9.600000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)