Match Hartree energy
Commits >
Commit 1a80ca3478da7edc19284ff737aa0abfc175abac >
Run spack_foss-2022a_serial_debug >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936388270000e+03 | 3.988936413230000e+03 | 2.750000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)