Match electronic pol. charge
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run cuda-serial: [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)