Match electronic pol. charge
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
Run foss-2022a_opt >
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)