Match Partial charge 1
Commits >
Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 >
Run spack_intel-2022a_serial_omp >
Input 30-local_multipoles.01-gs.inp
Value | Reference | Precision | Status |
4.274000000000000e+00 | 4.274000000000000e+00 | 2.140000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)