MPI-SCATCI  2.0
An MPI version of SCATCI
Postprocessing_module.F90 File Reference

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Data Types

type  postprocessing_module::outerinterface
 SWINTERF-inspired post-processing object. More...
 

Modules

module  postprocessing_module
 Further processing of the diagonalization results.
 

Functions/Subroutines

subroutine, public postprocessing_module::postprocess (SCATCI_input, solutions)
 Full post-processing pass. More...
 
subroutine postprocessing_module::redistribute_solutions (SCATCI_input, solutions)
 Redistribute solutions from groups to everyone. More...
 
subroutine postprocessing_module::cdenprop_properties (SCATCI_input, solutions, properties_all)
 Evaluate multipoles in CDENPROP. More...
 
subroutine postprocessing_module::outer_interface (SCATCI_input, solutions, inner_properties)
 Extract data needed by outer-region codes. More...
 
subroutine postprocessing_module::init_outer_interface (this, input)
 Allocate memory for channel information. More...
 
subroutine postprocessing_module::deinit_outer_interface (this)
 Release memory held by this object. More...
 
subroutine postprocessing_module::setup_amplitudes (this, opts)
 Initialize raw boundary amplitudes (in integral library) More...
 
subroutine postprocessing_module::extract_data (this, opts, prop, solution)
 Get interface data. More...
 
subroutine postprocessing_module::write_data (this, i, opts, prop, solution)
 Write interface data. More...
 
subroutine postprocessing_module::get_channel_info (this, opts, prop)
 Assemble the list of outer channels. More...
 
subroutine postprocessing_module::get_boundary_data (this, opts, prop, solution)
 Evaluate boundary amplitudes for propagation and RMT. More...
 
subroutine postprocessing_module::write_channel_info (this, nchset, opts, cform, prop)
 Write the channel list to disk. More...
 
subroutine postprocessing_module::write_boundary_data (this, nrmset, opts, rform, prop, solution)
 Write the R-matrix amplitudes to disk. More...
 
subroutine postprocessing_module::get_channel_couplings (this, ismax, ntarg, target_properties, alpha0, alpha2, use_pol)
 Evaluate long-range channel coupling coefficients. More...
 
subroutine postprocessing_module::write_rmt_data (input, inner_properties, target_properties, solutions, intf)
 Compose the RMT molecular input data file. More...
 
subroutine postprocessing_module::generate_couplings (maxl, n_rg, rg, lm_rg)
 Evaluate angular couplings for outer region of RMT. More...
 

Variables

integer, parameter postprocessing_module::rmt_int = shortint
 
integer, parameter postprocessing_module::rmt_real = wp