Match Energy [step 20]
Commits >
Commit 4ba8d1ba4a84cee910627f85cb1ba733d430c04d >
Run intel-serial: [intel2023a-serial] >
Input 14-fullerene_unpacked.02-td-unpacked.inp
Value | Reference | Precision | Status |
-3.184094654954738e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | PASS |
Command: LINEFIELD(td.general/energy, -1, 3)