Match electronic pol. charge
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Run spack_foss-2023a_mpi_min >
Input 32-tdpcm_methane.01-ground_state.inp
| Value | Reference | Precision | Status |
| -7.889902200000000e+00 | -7.889902200000000e+00 | 3.940000000000000e-06 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)