Abstract Interface | Location | Description |
---|---|---|
compute_density | mod_dft_gridint | |
compute_density_grad | mod_dft_gridint | |
compute_density_tau | mod_dft_gridint | |
func_d_d | mod_dft_partfunc | |
grd2_compute_data_t_clean | grd2 | |
grd2_compute_data_t_get_density | grd2 | |
grd2_compute_data_t_init | grd2 | |
xc_consumer_clean | mod_dft_gridint | @brief Release resources of xc_consumer_t |
xc_consumer_parallel_start | mod_dft_gridint | @brief Initialization of the data for XC consumer |
xc_consumer_parallel_stop | mod_dft_gridint | @brief Finalization of data in parallel run |
xc_consumer_postUpdate | mod_dft_gridint | This subroutine is executed inside the parallel region by every thread |
xc_consumer_update | mod_dft_gridint | @brief Main subroutine to consume XC functional values provided by xc_engine_t |