Match Hartree energy
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_omp_autotools: [intel2022a-serial] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.954895867350000e+03 | 3.954895867480000e+03 | 3.710000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)