Match Hartree energy (numerical)
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 10-hartree_pfft.04-3d_3d_periodic.inp
Value | Reference | Precision | Status |
3.497836148181824e-01 | 3.497836148185000e-01 | 1.750000000000000e-12 | PASS |
Command: GREPFIELD(hartree_results, 'Hartree Energy (numerical) =', 5)