Match electronic pol. charge
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss_cmake: [foss2022a-serial, foss-full] >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
-7.841557280000000e+00 | -7.841557280000000e+00 | 3.920000000000000e-07 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)