Match electronic pol. charge
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-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)