Match electronic pol. charge
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run spack_foss-2022a_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)