Match electronic pol. charge
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run eb_foss-2022a >
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)