Match Hartree energy
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.954895867440000e+03 | 3.954895868660000e+03 | 4.100000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)