Match electronic pol. charge
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-omp-full: [foss2023a-serial] >
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)