Match Exchange energy
Commits >
Commit a4341ac9f169107ec4cef5019cc6269df7c401ac >
Run spack_foss-2023a_mpi_opt >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-7.529513700000000e-01 | -7.529513600000000e-01 | 3.760000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Exchange =', 3)