Match Energy [step 20]
Commits >
Commit e321051bfbbb5a5d40cc69c07d513888d3b3fbd3 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 14-fullerene_unpacked.03-td-packed.inp
Value | Reference | Precision | Status |
-3.184094654954747e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | PASS |
Command: LINEFIELD(td.general/energy, -1, 3)