| Module | Source File | Description |
|---|---|---|
| gridXC | gridxc.F90 | |
| gridxc_atom | atomxc.F90 | |
| gridxc_cell | cellxc.F90 | |
| gridxc_config | gridxc_config.F90 | Contains global (MPI-related) data and exports an initialization routine. |
| gridxc_fft_gpfa | gridxc_fft_gpfa.F90 | |
| gridxc_gpfa_core_dp | gridxc_fft_gpfa.F90 | |
| gridxc_gpfa_core_sp | gridxc_fft_gpfa.F90 | |
| gridxc_hybrids | xc_hybrids.F90 | |
| gridxc_interpolation | interpolation.F90 | |
| gridxc_mesh1D | mesh1d.F90 | |
| gridxc_walltime | m_walltime.F90 | |
| gridxc_xcmod | xcmod.F90 | Stores the information about the XC functional to use, and provides routines to set and to get it. |
| gridxc_xwpbe | xc_xwpbe.F90 | \brief Calculates short range exchange part for wPBE functional and averaged PBE exchange-hole functional (omega = 0.0 ) \par History Manuel Guidon (05.2007) : initial version \author Manuel Guidon (05.2007) |