Todo List

Subprogram auxiliary_fftroutines::get_curl_2d (Field_X, Field_Y, Curl)

use the appropriate real to complex and complex to real FFTs.

use the appropriate real to complex and complex to real FFTs.

Subprogram auxiliary_fftroutines::get_gradient_2d (Field, Gradient_X, Gradient_Y)

use the appropriate real to complex and complex to real FFTs.

use the appropriate real to complex and complex to real FFTs.

Type dvr_parameters

check for which variables can be moved (from) here (to) from Module Interaction_Parameters.

Type fft_laboratory

include MPI FFT routines or maybe GPU FFTs as well as the corresponding preprocessor flags.

Type global_parameters

Create input data type to unify reading/writing from/to files.

Type interaction_parameters

make the distribution of variables between this module and the DVR_Parameters module meaningful: DVR_X, DVR_Y, etc must be moved.

Subprogram master_slave_parallelization::master_mctdhbf

Add 'debug' compilation option.

Type matrix_elements

Check if all the variables here are truly necessary, for instace TERM_REQ* and TERM_INDEX* might be identical.

Subprogram orbital_equationofmotion::apply_nlevelprojection (TwoBody_Psi, OneBody_Psi, PSI, Inverted_Rho1_Elements)

possible need for parallelization

Subprogram orbital_equationofmotion::apply_projection (TwoBody_Psi, OneBody_Psi, PSI, Inverted_Rho1_Elements)

Further OpenMP parallelization?

Subprogram orbital_equationofmotion::func_nlevel (AbsTime, Psi, TwoBody_PSI)

Check if optimization of mutilevel loops by openMP pays off.

Type recursive_2body_mapconstruction

remove variable nthreads and allocation of VOUT(nthreads)

Type sil_integrators

make the Krylov basis arrays allocatables

Subprogram stiff_integrator::jex (NEQ, T, W, ML, MU, PD, NRPD, RPAR, IPAR)

Either remove or write something useful inside.

Either remove or write something useful inside.

Either remove or write something useful inside.

Either remove or write something useful inside.