Match nuclear pol. charge
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run spack_foss-2023a_mpi >
Input 32-tdpcm_methane.01-ground_state.inp
Value | Reference | Precision | Status |
7.897282980000000e+00 | 7.897282980000000e+00 | 3.950000000000000e-07 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 9)