Match electronic pol. charge
Commits >
Commit d6f4833c99197407842d58e82c91c418d3d73b88 >
Run spack_foss-2022a_cuda_serial >
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)