Match Total energy
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi] >
Input 24-hartree_fock_1D.02-noACE.inp
Value | Reference | Precision | Status |
-4.848649840300000e+02 | -4.893799087200000e+02 | 2.450000000000000e-09 | FAIL |
Command: GREPFIELD(static/info, 'Total =', 3)