Match Exchange energy
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 14-carbon_dojo_psp8.01-gs.inp
Value | Reference | Precision | Status |
-4.739973463000000e+01 | -4.739973463000000e+01 | 2.370000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Exchange =', 3)