Match Hartree energy
Commits >
Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d >
Run GCI_intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988937002990000e+03 | 3.988936987400000e+03 | 1.800000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)