Match electronic pol. charge
Commits >
Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 >
Run intel-2022a_omp >
Input 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp
Value | Reference | Precision | Status |
-7.841935830000000e+00 | -7.841935830000000e+00 | 3.920000000000000e-07 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)