Match electronic pol. charge
Commits >
Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d >
Run intel-omp: [intel2023a-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)