Match electronic pol. charge
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 32-tdpcm_methane.01-ground_state.inp
| Value | Reference | Precision | Status |
| -7.889902170000000e+00 | -7.889902200000000e+00 | 3.940000000000000e-06 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)