Match Hartree energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] >
Input 08-loewdin.01-Si.inp
Value | Reference | Precision | Status |
5.639477200000000e-01 | 5.644731500000000e-01 | 2.820000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'Hartree =', 3)