Match electronic pol. charge
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run eb_fosscuda-2022a_mpi_omp >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
-7.842010250000000e+00 | -7.842010250000000e+00 | 3.920000000000000e-07 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)