Match electronic pol. charge
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run foss_cuda_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)